CCN(CC1=CC=CC=C1)C1=CC=C(C=[NH+]NC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300000001118	1	51	0.0	-70.54	410.99	13.47	-57.07
CC[NH+](CC)CC1=CC(C(C)=NNC2=CC=C(C(=O)[O-])C=C2)=CC=C1O	REAL300000001140	0	51	0.0	-73.40	394.91	9.27	-64.13
CC(=NNC1=CC=C(C(=O)[O-])C=C1)C1=CC=C(O)C(C[NH+]2CCCCC2)=C1	REAL300000001142	0	52	0.0	-71.40	406.44	9.97	-61.43
CCN(CCO)C1=CC=C(C=[NH+]NC2=CC=C(C(=O)[O-])C=C2)C(C)=C1	REAL300000001227	1	48	0.0	-68.58	382.95	7.91	-60.67
COC1=CC=C(C(C)=NNC2=CC=C(C(=O)[O-])C=C2)C=C1C[NH+]1CCCCC1	REAL300000001318	0	55	0.0	-69.19	419.83	12.18	-57.01
COC1=CC=C(C(C)=NNC2=CC=C(C(=O)[O-])C=C2)C=C1C[NH+]1CCCC1	REAL300000001319	0	52	0.0	-69.10	409.34	11.27	-57.83
CN(CCO)C1=CC=C(C=[NH+]NC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300000001339	1	42	0.0	-71.02	343.40	6.47	-64.55
O=C([O-])C1=CC=C(N[NH+]=CC2=CC=C(N3CCOCC3)C=C2)C=C1	REAL300000001370	1	43	0.0	-73.70	344.97	7.17	-66.53
CC[NH+]1CCN(C2=CC=C(C(C)=NNC3=CC=C(C(=O)[O-])C=C3)C=C2F)CC1	REAL300000001400	1	53	0.0	-86.04	416.07	10.92	-75.12
COC1=[NH+]C(N)=NC(N2CCCC2)=C1C=NNC1=CC=C(C(=O)[O-])C=C1	REAL300000001435	1	46	0.0	-70.11	377.59	7.32	-62.79
CC[NH+](CC)CCN1C(=O)C(=NNC2=CC=C(C(=O)[O-])C=C2)C2=CC=CC=C21	REAL300000001444	0	52	0.0	-79.41	415.33	11.66	-67.75
CCN(CC)C1=CC=C(C=[NH+]NC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300000001525	1	44	0.0	-69.14	356.09	10.65	-58.49
O=C([O-])C1=CC=C(N[NH+]=CC2=CC=C(N3CCCCC3)C=C2)C=C1	REAL300000001530	1	45	0.0	-71.25	353.90	9.62	-61.63
O=C([O-])C1=CC=C(N=NC2CC[N@H+](CC3=CC=CC=C3)C2)C=C1	REAL300000001542	0	42	0.0	-72.75	345.63	9.52	-63.23
O=C([O-])C1=CC=C(N=NC2CC[N@@H+](CC3=CC=CC=C3)C2)C=C1	REAL300000001542	1	42	0.0	-73.51	345.87	9.54	-63.97
O=C([O-])C1=CC=C(NN=CC2=CC=C(OCC[NH+]3CCCC3)C=C2)C=C1	REAL300000001590	0	49	0.0	-78.81	394.19	11.27	-67.54
CC[N@@H+]1CCCC1CN1C(C)=CC(C=NNC2=CC=C(C(=O)[O-])C=C2)=C1C	REAL300000001594	0	55	0.0	-79.06	415.06	12.31	-66.75
CC[N@H+]1CCCC1CN1C(C)=CC(C=NNC2=CC=C(C(=O)[O-])C=C2)=C1C	REAL300000001594	1	55	0.0	-70.29	422.76	11.68	-58.61
CC[N@@H+]1CCCC1CN1C(C)=CC(CN=NC2=CC=C(C(=O)[O-])C=C2)=C1C	REAL300000001594	1	55	0.0	-74.03	421.89	11.06	-62.97
CC[N@H+]1CCCC1CN1C(C)=CC(CN=NC2=CC=C(C(=O)[O-])C=C2)=C1C	REAL300000001594	1	55	0.0	-74.03	421.89	11.06	-62.97
O=C([O-])C1=CC=C(NN=CC2=CC=C(N3CCCC3)C=C2)C=C1	REAL300000001618	0	42	0.0	-72.45	338.83	8.85	-63.60
O=C([O-])C1=CC=C(N[NH+]=CC2=CC=C(N3CCCC3)C=C2)C=C1	REAL300000001618	1	42	0.0	-72.45	338.83	8.85	-63.60
CC1=CC(C=NNC2=CC=C(C(=O)[O-])C=C2)=C(C)N1CCN1CCOCC1	REAL300000001625	0	53	0.0	-84.23	416.50	10.65	-73.58
C[NH+](C)CCOC1=CC=C(C=NNC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300000001651	0	45	0.0	-79.37	370.64	9.98	-69.39
CN(C1=CC=CC=C1C=NNC1=CC=C(C(=O)[O-])C=C1)C1CC[NH+](C)CC1	REAL300000001663	0	53	0.0	-64.75	407.95	11.87	-52.88
CN1CCN(C2=CC=C(C=NNC3=CC=C(C(=O)[O-])C=C3)C=C2F)CC1	REAL300000001692	0	47	0.0	-79.38	384.52	9.68	-69.70
C[NH+]1CCN(C2=CC=C(C=NNC3=CC=C(C(=O)[O-])C=C3)C=C2F)CC1	REAL300000001692	1	47	0.0	-79.38	384.52	9.68	-69.70
CC1=NN2C(=NC3=CC=CC=C3C2=O)C1=CNNC1=CC=C(C(=O)[O-])C=C1	REAL300000001701	0	42	0.0	-96.49	357.73	8.85	-87.64
CC1=NN2C(=NC3=CC=CC=C3C2=O)C1=C[NH2+]NC1=CC=C(C(=O)[O-])C=C1	REAL300000001701	1	42	0.0	-96.49	357.73	8.85	-87.64
CC(=NNC1=CC=C(C(=O)[O-])C=C1)C1=CC=CC(OCC[NH+](C)C)=C1	REAL300000001734	0	48	0.0	-75.28	384.50	10.54	-64.74
CC(=NNC1=CC=C(C(=O)[O-])C=C1)C1=CC=C(O)C(CN2CCOCC2)=C1	REAL300000001736	0	50	0.0	-76.64	396.78	7.66	-68.98
CC(=NNC1=CC=C(C(=O)[O-])C=C1)C1=CC=C(O)C(C[NH+]2CCOCC2)=C1	REAL300000001736	1	50	0.0	-76.64	396.78	7.66	-68.98
CC(=NNC1=CC=C(C(=O)[O-])C=C1)C1=CC=C(OCC[NH+](C)C)C=C1	REAL300000001767	0	48	0.0	-82.31	384.45	10.54	-71.77
CN1CCCC2=CC(C=NNC3=CC=C(C(=O)[O-])C=C3)=CC=C21	REAL300000001782	0	42	0.0	-71.22	335.18	8.87	-62.35
CN1CCCC2=CC(C=[NH+]NC3=CC=C(C(=O)[O-])C=C3)=CC=C21	REAL300000001782	1	42	0.0	-71.22	335.18	8.87	-62.35
CC(N=NC1=CC=C(C(=O)[O-])C=C1)C1CN(CC2=CC=CC=C2)CCO1	REAL300000001974	0	49	0.0	-67.82	382.86	8.95	-58.87
CC(N=NC1=CC=C(C(=O)[O-])C=C1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300000001974	1	49	0.0	-71.09	392.41	9.56	-61.53
CC(N=NC1=CC=C(C(=O)[O-])C=C1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300000001974	1	49	0.0	-71.09	392.41	9.56	-61.53
C[N@H+](CC1=CC=CC=C1)CC(C)(C)CN=NC1=CC=C(C(=O)[O-])C=C1	REAL300000002019	0	50	0.0	-76.04	383.74	11.01	-65.03
C[N@@H+](CC1=CC=CC=C1)CC(C)(C)CN=NC1=CC=C(C(=O)[O-])C=C1	REAL300000002019	1	50	0.0	-76.01	387.24	11.14	-64.87
O=C([O-])C1=CC=C(N=NCC2(C[NH+]3CCOCC3)CCCCC2)C=C1	REAL300000002032	0	52	0.0	-66.62	379.51	8.60	-58.02
CC1C[N@H+](CC2=CC=CC=C2)CC1N=NC1=CC=C(C(=O)[O-])C=C1	REAL300000002046	0	45	0.0	-73.22	365.83	10.09	-63.13
CC1C[N@@H+](CC2=CC=CC=C2)CC1N=NC1=CC=C(C(=O)[O-])C=C1	REAL300000002046	1	45	0.0	-73.34	366.40	10.10	-63.24
C[NH+]1CCN(C2=NC=C(C=NNC3=CC=C(C(=O)[O-])C=C3)C=N2)CC1	REAL300000002069	1	45	0.0	-81.94	368.78	8.96	-72.98
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1N=NC1=CC=C(C(=O)[O-])C=C1	REAL300000002109	0	51	0.0	-71.35	393.82	11.83	-59.52
CC1CC(N=NC2=CC=C(C(=O)[O-])C=C2)C[N@@H+]1CC1=CC=CC=C1	REAL300000002139	0	45	0.0	-70.52	364.57	10.11	-60.41
CC1CC(N=NC2=CC=C(C(=O)[O-])C=C2)C[N@H+]1CC1=CC=CC=C1	REAL300000002139	1	45	0.0	-71.15	364.18	10.01	-61.14
CC1C([NH2+]NC2=CC=C(C(=O)[O-])C=C2)=CC(=O)N1CC1=CC=CC=C1	REAL300000002147	1	44	0.0	-83.97	368.39	9.59	-74.38
C[NH+]1CCN(C2=CC=C(C=NNC3=CC=C(C(=O)[O-])C=C3)C=C2)CC1	REAL300000002273	0	47	0.0	-81.92	374.47	9.38	-72.54
CC1CC[N@H+](CC2=CC=CC=C2)CC1N=NC1=CC=C(C(=O)[O-])C=C1	REAL300000002284	0	48	0.0	-68.45	373.37	10.81	-57.64
CC1CC[N@@H+](CC2=CC=CC=C2)CC1N=NC1=CC=C(C(=O)[O-])C=C1	REAL300000002284	1	48	0.0	-71.10	381.19	10.81	-60.29
CCC1=[NH+]C(CN=NC2=CC=C(C(=O)[O-])C=C2)=C2C=CC=CN12	REAL300000002307	1	39	0.0	-61.17	336.49	9.32	-51.85
CC(C)C1=[NH+]C(CN=NC2=CC=C(C(=O)[O-])C=C2)=C2C=CC=CN21	REAL300000002309	1	42	0.0	-59.68	355.22	9.91	-49.77
CC1CC(N=NC2=CC=C(C(=O)[O-])C=C2)C[N@H+](CC2=CC=CC=C2)C1	REAL300000002374	0	48	0.0	-74.51	382.27	10.74	-63.77
CC1CC(N=NC2=CC=C(C(=O)[O-])C=C2)C[N@@H+](CC2=CC=CC=C2)C1	REAL300000002374	1	48	0.0	-73.82	375.49	10.74	-63.08
CC(N=NC1=CC=C(C(=O)[O-])C=C1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300000002401	0	48	0.0	-70.29	384.44	10.78	-59.51
CC(N=NC1=CC=C(C(=O)[O-])C=C1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300000002401	1	48	0.0	-70.12	383.67	10.66	-59.46
CC(C[NH+]1CC2=CC=CC=C2C1)N=NC1=CC=C(C(=O)[O-])C=C1	REAL300000002418	1	42	0.0	-70.87	345.96	9.70	-61.17
O=C([O-])C1=CC=C(N[NH+]=CC2=CC=C3C(=C2)CCN3CC2=CC=CC=C2)C=C1	REAL300000002613	1	49	0.0	-73.74	395.56	11.68	-62.06
C[NH+](C)CC(C)(CN=NC1=CC=C(C(=O)[O-])C=C1)C1=CC=CC=C1	REAL300000002707	0	47	0.0	-59.19	359.45	10.86	-48.33
CC1C(N=NC2=CC=C(C(=O)[O-])C=C2)CCC[N@@H+]1CC1=CC=CC=C1	REAL300000002732	0	48	0.0	-70.01	376.92	10.71	-59.30
CC1C(N=NC2=CC=C(C(=O)[O-])C=C2)CCC[N@H+]1CC1=CC=CC=C1	REAL300000002732	1	48	0.0	-70.26	374.52	11.05	-59.21
CC(=NNC1=CC=C(C(=O)[O-])C=C1)C1=CC=C(C[NH+](C)C)C=C1	REAL300000002799	0	44	0.0	-82.21	354.62	10.76	-71.45
CC(=NNC1=CC=C(C(=O)[O-])C=C1)C1=CC=CC(C[NH+](C)C)=C1	REAL300000002800	0	44	0.0	-74.00	354.63	10.75	-63.25
COCC[NH+]1C2CCC1CC(N=NC1=CC=C(C(=O)[O-])C=C1)C2	REAL300000002802	0	46	0.0	-68.59	351.06	6.96	-61.63
CC1C(N=NC2=CC=C(C(=O)[O-])C=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300000002841	0	45	0.0	-71.20	358.40	10.23	-60.97
CC1C(N=NC2=CC=C(C(=O)[O-])C=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300000002841	1	45	0.0	-69.21	365.19	10.14	-59.07
C[NH+](C)CCN1C(=O)C(=NNC2=CC=C(C(=O)[O-])C=C2)C2=CC=CC=C21	REAL300000002846	0	46	0.0	-81.58	379.64	10.30	-71.28
O=C([O-])C1=CC=C(N=NC2CC[N@H+](C3CC3)C(C3=CC=CC=C3)C2)C=C1	REAL300000002878	0	49	0.0	-69.33	385.77	11.37	-57.96
O=C([O-])C1=CC=C(N=NC2CC[N@@H+](C3CC3)C(C3=CC=CC=C3)C2)C=C1	REAL300000002878	1	49	0.0	-64.69	371.99	10.80	-53.89
CC1OC2(CC1N=NC1=CC=C(C(=O)[O-])C=C1)CC[NH+](C)CC2	REAL300000002935	0	46	0.0	-70.53	358.73	7.61	-62.92
CC1(C)CC(N=NC2=CC=C(C(=O)[O-])C=C2)C[N@@H+]1CC1=CC=CC=C1	REAL300000002967	0	48	0.0	-68.21	377.65	10.24	-57.97
CC1(C)CC(N=NC2=CC=C(C(=O)[O-])C=C2)C[N@H+]1CC1=CC=CC=C1	REAL300000002967	1	48	0.0	-67.65	380.52	10.41	-57.24
O=C([O-])C1=CC=C(NN=CC2=CC=NN2C2=CC=[NH+]C=C2)C=C1	REAL300000003043	1	36	0.0	-83.87	317.44	7.78	-76.09
CC(C)(C)C1(CN=NC2=CC=C(C(=O)[O-])C=C2)CC[N@H+](CC2=CC=CC=C2)C1	REAL300000003044	0	57	0.0	-67.83	424.87	12.23	-55.60
CC(C)(C)C1(CN=NC2=CC=C(C(=O)[O-])C=C2)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300000003044	1	57	0.0	-65.07	425.88	12.26	-52.81
O=C([O-])C1=CC=C(N=NCC2CC[NH+](CC3=CC=CC=C3)CC2)C=C1	REAL300000003067	0	48	0.0	-71.98	382.08	10.88	-61.10
O=C([O-])C1=CC=C(N=NC2CCC[N@@H+]3CCSCC23)C=C1	REAL300000003172	1	40	0.0	-70.50	321.86	8.36	-62.14
O=C([O-])C1=CC=C(N=NC2CCC[N@H+]3CCSCC23)C=C1	REAL300000003172	1	40	0.0	-75.35	324.15	8.08	-67.27
O=C([O-])C1=CC=C(N=NC2CC[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@H]23)C=C1	REAL300000003224	0	49	0.0	-67.99	383.98	11.63	-56.36
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CCN1CCC2=CC(C=[NH+]NC3=CC=C(C(=O)[O-])C=C3)=CC=C21	REAL300000003329	1	42	0.0	-72.38	336.73	8.70	-63.68
CC1CCC(N=NC2=CC=C(C(=O)[O-])C=C2)C[N@@H+]1CC1=CC=CC=C1	REAL300000003416	0	48	0.0	-71.08	378.12	10.64	-60.44
CC1CCC(N=NC2=CC=C(C(=O)[O-])C=C2)C[N@H+]1CC1=CC=CC=C1	REAL300000003416	1	48	0.0	-69.06	368.95	10.64	-58.42
C[NH+](C)CCC1=CC=C(C=NNC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300000003446	0	44	0.0	-82.21	363.29	11.05	-71.16
CCN1CCCC2=CC(C=[NH+]NC3=CC=C(C(=O)[O-])C=C3)=CC=C21	REAL300000003549	1	45	0.0	-71.50	349.95	9.45	-62.05
O=C([O-])C1=CC=C(N=NC2CCC3CCC(C2)[N@@H+]3CC2=CC=CC=C2)C=C1	REAL300000003696	0	52	0.0	-72.82	384.43	11.05	-61.77
O=C([O-])C1=CC=C(N=NC2CCC3CCC(C2)[N@H+]3CC2=CC=CC=C2)C=C1	REAL300000003696	1	52	0.0	-71.80	384.71	11.06	-60.74
CCN(C)C1=CC=C(C=[NH+]NC2=CC=C(C(=O)[O-])C=C2)C(C)=C1	REAL300000003717	1	44	0.0	-67.21	352.02	10.21	-57.00
O=C([O-])C1=CC=C(N[NH+]=CC2=CC=C(N3CCC(O)C3)C=C2)C=C1	REAL300000003773	1	43	0.0	-73.66	348.55	5.34	-68.32
CC(=NN1CC[NH+](C)CC1)C1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1	REAL300000005053	1	55	0.0	-82.16	441.29	8.36	-73.80
CC(=NN1CC[NH+](C)CC1)C1=CC=C(C2=CC=C(C(=O)[O-])O2)C=C1	REAL300000005054	1	45	0.0	-79.07	362.83	10.71	-68.36
COC1=CC(C=NN2CC[NH+](C)CC2)=CC=C1OCC(=O)[O-]	REAL300000005055	1	43	0.0	-81.50	343.00	7.39	-74.11
CC(=NN1CC[NH+](C)CC1)C1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1	REAL300000005056	1	46	0.0	-72.33	378.16	5.04	-67.29
CC(=NN1CC[NH+](C)CC1)C1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300000005057	1	49	0.0	-72.72	400.21	5.68	-67.04
CC(=NN1CC[NH+](C)CC1)C1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1	REAL300000005058	1	52	0.0	-76.09	421.71	6.47	-69.62
CC(=NN1CC[NH+](C)CC1)C1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1	REAL300000005059	1	49	0.0	-69.06	397.85	5.65	-63.41
C[NH+]1CCN(N=CC2=CC(Br)=CC=C2OCC(=O)[O-])CC1	REAL300000005060	1	39	0.0	-61.23	332.63	8.51	-52.72
C[NH+]1CCN(N=CC2=CC=CC(OCC3=CC=CC=C3C(=O)[O-])=C2)CC1	REAL300000005061	1	49	0.0	-78.50	386.83	10.61	-67.89
C[NH+]1CCN(N=CC2=CC=C(OCC(=O)[O-])C([N+](=O)[O-])=C2)CC1	REAL300000005062	1	41	0.0	-85.89	339.77	8.80	-77.09
CC1=C(C(=O)[O-])OC(COC2=CC=C(C=NN3CC[NH+](C)CC3)C=C2)=C1	REAL300000005063	1	49	0.0	-81.35	394.78	9.69	-71.66
C[NH+]1CCN(N=CC2=CC=CC(OCC3=CC=CC(C(=O)[O-])=C3)=C2)CC1	REAL300000005064	1	49	0.0	-78.61	394.04	10.62	-67.99
C[NH+]1CCN(N=CC2=CC=C(OCC3=C(C(=O)[O-])C=CO3)C=C2)CC1	REAL300000005065	1	46	0.0	-80.62	373.16	8.77	-71.85
COC1=CC=C(C=NN2CC[NH+](C)CC2)C(OCC(=O)[O-])=C1	REAL300000005066	1	43	0.0	-67.28	340.68	7.19	-60.09
C[NH+]1CCN(N=CC2=CC=C(OC(F)(F)C(=O)[O-])C=C2)CC1	REAL300000005067	1	39	0.0	-72.27	323.06	7.81	-64.46
CN1C(C(=O)[O-])=CC(Br)=C1C=NN1CC[NH+](C)CC1	REAL300000005068	1	36	0.0	-75.78	304.07	7.23	-68.55
C[NH+]1CCN(N=CC2=CC=C(OCC(=O)[O-])C(Br)=C2)CC1	REAL300000005069	1	39	0.0	-76.79	334.19	8.27	-68.52
COC1=C2OC(C(=O)[O-])=CC2=C(C=NN2CC[NH+](C)CC2)C=C1	REAL300000005070	1	42	0.0	-82.47	338.36	7.41	-75.06
C[NH+]1CCN(N=CC2=CC=C(OCCN3C=C(C(=O)[O-])N=N3)C(Cl)=C2)CC1	REAL300000005071	1	48	0.0	-79.29	409.43	7.77	-71.52
COC1=CC(C=NN2CC[NH+](C)CC2)=C([N+](=O)[O-])C=C1OCC(=O)[O-]	REAL300000005072	1	45	0.0	-79.33	365.43	7.80	-71.53
CN(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1C=NN1CC[NH+](C)CC1	REAL300000005073	1	46	0.0	-56.73	369.15	9.42	-47.31
CC(=NN1CC[NH+](C)CC1)C1=CC=C(OC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300000005074	1	49	0.0	-73.22	390.46	11.38	-61.84
COC1=CC(C=NN2CC[NH+](C)CC2)=CC=C1OCCC(=O)[O-]	REAL300000005075	1	46	0.0	-76.19	363.95	7.66	-68.53
C[NH+]1CCN(N=CC2=CN(CC(=O)[O-])C3=CC=CC=C23)CC1	REAL300000005076	1	42	0.0	-71.69	337.49	9.64	-62.05
CC(=NN1CC[NH+](C)CC1)C1=CC=CC(OCCCC(=O)[O-])=C1	REAL300000005077	1	48	0.0	-71.06	374.15	9.61	-61.45
CC(CCC1=CC=C(OC(C)C(=O)[O-])C=C1)=NN1CC[NH+](C)CC1	REAL300000005078	1	51	0.0	-75.00	397.84	10.98	-64.02
CC(CCC1=CC=C(OCC(=O)[O-])C=C1)=NN1CC[NH+](C)CC1	REAL300000005079	1	48	0.0	-74.25	380.09	10.38	-63.87
CC(=NN1CC[NH+](C)CC1)C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000005080	1	45	0.0	-70.77	350.74	9.41	-61.36
CC(CCC1=CC=C(OCCC(=O)[O-])C=C1)=NN1CC[NH+](C)CC1	REAL300000005081	1	51	0.0	-70.49	401.04	10.51	-59.98
CC(CCC1=CC=C(OCC2=CC=CC(C(=O)[O-])=C2)C=C1)=NN1CC[NH+](C)CC1	REAL300000005082	1	58	0.0	-80.24	460.31	13.38	-66.86
CCC(=NN1CC[NH+](C)CC1)C1=CC=C(OCCCCC(=O)[O-])C=C1	REAL300000005083	1	54	0.0	-70.78	416.12	10.96	-59.82
COC1=CC(C(C)=NN2CC[NH+](C)CC2)=CC=C1OCCCC(=O)[O-]	REAL300000005084	1	52	0.0	-76.87	404.60	9.64	-67.23
C[NH+]1CCN(N=C2CC(C(=O)[O-])(C3=CC=CC(Cl)=C3)C2)CC1	REAL300000005085	1	42	0.0	-60.53	345.51	9.75	-50.78
C[NH+]1CCN(N=C2CC(C(=O)[O-])(C3=CC=CC(Br)=C3)C2)CC1	REAL300000005086	1	42	0.0	-60.40	350.08	9.86	-50.54
CC(=NN1CC[NH+](C)CC1)C1=CC(Br)=CC=C1OCC(=O)[O-]	REAL300000005087	1	42	0.0	-58.27	350.75	9.63	-48.64
CC(=NN1CC[NH+](C)CC1)C1=C(CC(=O)[O-])C2=CC=C(C)C=C2O1	REAL300000005088	1	47	0.0	-67.21	364.55	10.02	-57.19
C[NH+]1CCN(N=C2CCCCC3=CC(C(=O)[O-])=CC=C32)CC1	REAL300000005089	1	45	0.0	-64.62	343.30	9.87	-54.75
C[NH+]1CCN(N=CC2=CC=CC(OC(C(=O)[O-])C3=CC=CC=C3)=C2)CC1	REAL300000005090	1	49	0.0	-77.46	391.81	11.31	-66.15
CC(=NN1CC[NH+](C)CC1)C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000005091	1	48	0.0	-71.12	368.69	9.74	-61.38
C[NH+]1CCN(N=CC2=CC=C(C3=CC=C(C(=O)[O-])C=C3)C=C2)CC1	REAL300000005092	1	45	0.0	-81.53	356.61	10.73	-70.80
COC1=CC(C=NN2CC[NH+](C)CC2)=CC(Cl)=C1OC(C)C(=O)[O-]	REAL300000005093	1	46	0.0	-85.10	379.35	8.82	-76.28
C[NH+]1CCN(N=CC2=CC=C(C3=CC=C(O)C(C(=O)[O-])=C3)O2)CC1	REAL300000005094	1	43	0.0	-85.14	352.68	7.13	-78.01
C[NH+]1CCN(N=CC2=CC=C(C3=CC=C(C(=O)[O-])C=C3)S2)CC1	REAL300000005095	1	42	0.0	-81.32	350.98	10.02	-71.30
C[NH+]1CCN(N=CC2=CC=C(C3=CC=CC(C(=O)[O-])=C3)S2)CC1	REAL300000005096	1	42	0.0	-82.99	351.27	10.06	-72.93
C[NH+]1CCN(N=CC2=CSC3=CC=C(C(=O)[O-])C=C23)CC1	REAL300000005097	1	38	0.0	-72.60	316.38	8.78	-63.82
C[NH+]1CCN(N=CC2=CC(C(=O)[O-])=CC=C2Br)CC1	REAL300000005098	1	35	0.0	-69.40	298.57	8.21	-61.19
COC1=CC(Br)=CC(C=NN2CC[NH+](C)CC2)=C1OCC(=O)[O-]	REAL300000005100	1	43	0.0	-66.89	363.56	8.45	-58.44
C[NH+]1CCN(N=CC2=CC=C(OCC3=CC=C(C(=O)[O-])O3)C=C2)CC1	REAL300000005101	1	46	0.0	-80.46	376.82	9.10	-71.36
C[NH+]1CCN(N=CC2=CC(I)=CC(C(=O)[O-])=C2)CC1	REAL300000005102	1	35	0.0	-70.38	310.60	8.43	-61.95
C[NH+]1CCN(N=CC2=C(O)C(C(=O)[O-])=CC3=CC=CC=C32)CC1	REAL300000005103	1	42	0.0	-81.12	332.11	7.82	-73.30
C[NH+]1CCN(N=CC2=CC=C(C3=CC=CC(CC(=O)[O-])=C3)C=C2)CC1	REAL300000005104	1	48	0.0	-78.64	379.04	11.53	-67.11
CCOC1=CC(C=NN2CC[NH+](C)CC2)=CC=C1OCC(=O)[O-]	REAL300000005105	1	46	0.0	-82.01	364.86	8.31	-73.70
C[NH+]1CCN(N=CC2=CN(C3CCOCC3)N=C2C(=O)[O-])CC1	REAL300000005106	1	46	0.0	-75.61	353.89	6.37	-69.24
CN1C2=CC=C(F)C=C2C(C=NN2CC[NH+](C)CC2)=C1C(=O)[O-]	REAL300000005107	1	42	0.0	-67.78	342.49	9.06	-58.72
CC(=NN1CC[NH+](C)CC1)C1=C(C(=O)[O-])C2=CC=CC=C2S1	REAL300000005108	1	41	0.0	-66.71	336.80	9.59	-57.12
C[NH+]1CCN(N=CC2=C(C(=O)[O-])C=C(Br)S2)CC1	REAL300000005109	1	32	0.0	-61.58	292.16	6.97	-54.61
CC(=NN1CC[NH+](C)CC1)C1=C(C(=O)[O-])C2=CC=CC=C2N=C1	REAL300000005110	1	43	0.0	-69.61	339.36	8.99	-60.62
C[NH+]1CCN(N=CC2=CC=CC=C2OCC2=CC=C(C(=O)[O-])O2)CC1	REAL300000005111	1	46	0.0	-65.40	374.55	9.46	-55.94
C[NH+]1CCN(N=CC2=CC=CC(Br)=C2C(=O)[O-])CC1	REAL300000005112	1	35	0.0	-59.89	293.25	7.62	-52.27
COC1=CC(OC)=C2C(=C1)NC(C(=O)[O-])=C2C=NN1CC[NH+](C)CC1	REAL300000005113	1	47	0.0	-72.69	371.72	4.57	-68.12
C[NH+]1CCN(N=CC2=CC=C(OCC(=O)[O-])C(Cl)=C2)CC1	REAL300000005114	1	39	0.0	-77.33	329.80	8.16	-69.17
C[NH+]1CCN(N=CC2=CC=C(S(=O)(=O)NCC(=O)[O-])C=C2)CC1	REAL300000005115	1	43	0.0	-75.12	358.97	3.85	-71.27
C[NH+]1CCN(N=CC2=C3C=C(C(=O)[O-])SC3=CC=C2F)CC1	REAL300000005116	1	38	0.0	-67.87	323.09	8.93	-58.94
O=C([O-])C1=CC=C(C=NNC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C=C1	REAL300000005756	0	52	0.0	-89.08	416.10	9.25	-79.83
O=C([O-])C1=CC=CC=C1C=NNC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300000005757	0	52	0.0	-88.63	414.28	9.55	-79.08
CC(=NNC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=CC=C(C(=O)[O-])C=C1	REAL300000005758	0	55	0.0	-88.26	429.88	9.82	-78.44
O=C([O-])C1=CC=C(C=NNC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)N1	REAL300000005759	0	50	0.0	-84.06	403.33	6.87	-77.19
CC(=NNC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=CC=CC=C1C(=O)[O-]	REAL300000005760	0	55	0.0	-90.55	427.97	10.11	-80.44
CC(=NNC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=CC=CC(C(=O)[O-])=C1	REAL300000005761	0	55	0.0	-93.64	430.13	9.86	-83.78
O=C([O-])CN1C=C(C=NNC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)N=N1	REAL300000005762	0	51	0.0	-90.09	414.14	6.03	-84.06
O=C([O-])C1=CSC(C=NNC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)=C1	REAL300000005763	0	49	0.0	-83.46	407.99	8.30	-75.16
O=C([O-])C1=CC(C=NNC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)=CC=C1O	REAL300000005764	0	53	0.0	-83.59	425.11	7.33	-76.26
CC(=NNC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=CC=C(C(=O)[O-])O1	REAL300000005765	0	52	0.0	-84.08	416.38	8.48	-75.60
CC1=C(C(=O)[O-])C=C(C=NNC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)N1	REAL300000005766	0	53	0.0	-94.41	421.59	7.52	-86.89
O=C([O-])C1CC(=NNC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300000005767	0	49	0.0	-73.76	384.49	7.62	-66.14
O=C([O-])C1=CC(C=NNC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)=CC=C1	REAL300000005768	0	52	0.0	-82.25	416.33	9.27	-72.98
CC1C(=NNC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)CCC1CC(=O)[O-]	REAL300000005769	0	58	0.0	-77.34	439.45	9.38	-67.96
CC1CC(C(=O)[O-])CCC1=NNC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300000005770	0	58	0.0	-79.10	432.82	9.22	-69.88
CC1CC(=NNC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)CCC1C(=O)[O-]	REAL300000005771	0	58	0.0	-79.84	434.44	9.33	-70.51
O=C([O-])C1=CC(C=NNC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)=CN1	REAL300000005772	0	50	0.0	-80.80	403.95	7.05	-73.75
CC(CC1(C(=O)[O-])CCC1)=NNC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300000005773	0	58	0.0	-82.18	437.12	9.37	-72.81
CN1N=CC(C(=O)[O-])=C1C=NNC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300000005774	0	52	0.0	-86.66	411.02	7.51	-79.15
O=C([O-])C1=CC=C(C=NNC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C=C1F	REAL300000005775	0	52	0.0	-91.05	420.70	9.29	-81.76
O=C([O-])C=CC1=CC=C(C=NNC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)O1	REAL300000005776	0	53	0.0	-96.98	434.67	7.21	-89.77
CC(=NNC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=CN=CC(C(=O)[O-])=C1	REAL300000005777	0	54	0.0	-88.12	425.31	8.05	-80.07
O=C([O-])C1=CC=C(C=NNC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C=N1	REAL300000005778	0	51	0.0	-92.95	412.01	7.50	-85.45
O=C([O-])C1=CC=C(C=NNC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C=C1O	REAL300000005779	0	53	0.0	-90.51	424.98	7.32	-83.19
CC1=CC=C(C=NNC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C=C1C(=O)[O-]	REAL300000005780	0	55	0.0	-80.93	432.30	9.81	-71.12
CN1N=C(C(=O)[O-])C=C1C=NNC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300000005781	0	52	0.0	-98.08	419.44	6.89	-91.19
CN1C=C(C(=O)[O-])C=C1C=NNC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300000005782	0	53	0.0	-96.74	424.26	8.69	-88.05
CC1=C(C(=O)[O-])C=C(C=NNC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)O1	REAL300000005783	0	52	0.0	-84.63	418.04	8.07	-76.56
O=C([O-])C1=COC(C=NNC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)=C1	REAL300000005784	0	49	0.0	-84.56	400.07	7.35	-77.21
CC1=CC=C(C=NNC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C(C(=O)[O-])=C1	REAL300000005785	0	55	0.0	-71.28	431.91	9.70	-61.58
CC1=C(C(=O)[O-])NC(C=NNC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)=C1	REAL300000005786	0	53	0.0	-88.39	421.37	7.43	-80.96
O=C([O-])C1=C(C=NNC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)SC=C1	REAL300000005787	0	49	0.0	-72.35	403.59	8.14	-64.21
O=C([O-])C1=CC(C=NNC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)=CS1	REAL300000005788	0	49	0.0	-80.96	408.12	8.33	-72.63
O=C([O-])CCC1=CC=C(C=NNC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)O1	REAL300000005789	0	55	0.0	-87.10	441.64	8.98	-78.12
O=C([O-])C1=C(F)C=CC=C1C=NNC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300000005790	0	52	0.0	-74.39	415.06	9.08	-65.31
CN(C)C1=CC=C(C(=O)[O-])C=C1C=[NH+]NC1=NC2=CC=CC=C2N1	REAL300000013721	1	41	0.0	-52.73	341.35	11.20	-41.53
CCNC1=NC(=NN=C2CCCC3=C2C(C)=C(C(=O)[O-])O3)[NH+]=C(NCC)N1	REAL300000014613	1	50	0.0	-78.35	405.38	13.72	-64.63
CCNC1=NC(=NN=C2CCC(C(=O)[O-])C3=CC=CC=C32)[NH+]=C(NCC)N1	REAL300000014637	1	50	0.0	-77.45	403.88	14.49	-62.96
CCNC1=NC(=NN=C2CCCC3=CC(C(=O)[O-])=CC=C32)[NH+]=C(NCC)N1	REAL300000014651	1	50	0.0	-78.55	405.27	14.52	-64.03
CCNC1=NC(=NN=C2CCCCC3=CC(C(=O)[O-])=CC=C32)[NH+]=C(NCC)N1	REAL300000014656	1	53	0.0	-72.41	423.98	14.91	-57.50
CCNC1=NC(=NN=C2CCC3=CC=CC(C(=O)[O-])=C32)[NH+]=C(NCC)N1	REAL300000014660	0	47	0.0	-71.47	382.87	14.18	-57.29
CCNC1=NC(=NN=C2CCCC3=NC=C(C(=O)[O-])C=C23)[NH+]=C(NCC)N1	REAL300000014676	1	49	0.0	-73.58	400.90	12.75	-60.83
O=C([O-])C1=CC=C(C=NNC(=S)NC2CC[NH+](CC3=CC=CC=C3)CC2)C=C1	REAL300000014725	0	52	0.0	-77.80	429.06	12.74	-65.06
O=C([O-])C1=CC=CC=C1C=NNC(=S)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300000014726	0	52	0.0	-74.32	423.11	12.51	-61.81
CC1=C(C(=O)[O-])C=C(C=NNC(=S)NC2CC[NH+](CC3=CC=CC=C3)CC2)N1	REAL300000014727	0	53	0.0	-74.43	434.53	11.01	-63.42
O=C([O-])C1=CC=CC(C=NNC(=S)NC2CC[NH+](CC3=CC=CC=C3)CC2)=C1	REAL300000014728	0	52	0.0	-79.72	429.35	12.77	-66.95
O=C([O-])C1=CC(C=NNC(=S)NC2CC[NH+](CC3=CC=CC=C3)CC2)=CN1	REAL300000014729	0	50	0.0	-76.46	416.98	10.53	-65.93
O=C([O-])C1=CC=C(C=NNC(=S)NC2CC[NH+](CC3=CC=CC=C3)CC2)C=N1	REAL300000014730	0	51	0.0	-79.32	425.03	10.99	-68.33
CN1C=C(C(=O)[O-])C=C1C=NNC(=S)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300000014731	0	53	0.0	-76.18	437.31	12.18	-64.00
O=C([O-])C1=COC(C=NNC(=S)NC2CC[NH+](CC3=CC=CC=C3)CC2)=C1	REAL300000014732	0	49	0.0	-73.92	413.48	10.88	-63.04
CC1=C(C(=O)[O-])NC(C=NNC(=S)NC2CC[NH+](CC3=CC=CC=C3)CC2)=C1	REAL300000014733	0	53	0.0	-70.76	434.34	10.92	-59.84
O=C([O-])C1=CC=C(C=NNC(=S)NCCC[NH+]2CCOCC2)C=C1	REAL300000015133	1	46	0.0	-77.94	385.46	8.30	-69.64
O=C([O-])COC1=CC=CC=C1C=NNC(=S)NCCC[NH+]1CCOCC1	REAL300000015134	1	50	0.0	-79.10	415.73	8.61	-70.49
O=C([O-])COC1=CC=C(C=NNC(=S)NCCC[NH+]2CCOCC2)C=C1	REAL300000015135	1	50	0.0	-77.97	416.72	8.62	-69.35
O=C([O-])C1=CC=CC=C1C=NNC(=S)NCCC[NH+]1CCOCC1	REAL300000015136	1	46	0.0	-75.79	379.96	8.07	-67.72
CC1=C(C(=O)[O-])OC2=C1C(=NNC(=S)NCCC[NH+]1CCOCC1)CCC2	REAL300000015137	1	53	0.0	-74.27	422.44	9.18	-65.09
CC(OC1=CC=CC(C=NNC(=S)NCCC[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300000015138	1	53	0.0	-81.56	434.61	9.20	-72.36
O=C([O-])CCOC1=CC=CC(C=NNC(=S)NCCC[NH+]2CCOCC2)=C1	REAL300000015139	1	53	0.0	-77.36	437.70	8.73	-68.63
O=C([O-])COC1=CC=CC(C=NNC(=S)NCCC[NH+]2CCOCC2)=C1	REAL300000015140	1	50	0.0	-80.91	416.75	8.60	-72.31
O=C([O-])C1=CC2=NNC(C=NNC(=S)NCCC[NH+]3CCOCC3)=C2C=C1	REAL300000015141	1	49	0.0	-78.30	409.53	7.03	-71.27
O=C([O-])CN1C=C(C=NNC(=S)NCCC[NH+]2CCOCC2)N=N1	REAL300000015142	1	45	0.0	-73.45	383.50	5.06	-68.39
O=C([O-])C1=CC=C(C=NNC(=S)NCCC[NH+]2CCOCC2)C(Cl)=C1	REAL300000015143	1	46	0.0	-73.01	394.12	9.05	-63.96
O=C([O-])C1=CC(C=NNC(=S)NCCC[NH+]2CCOCC2)=CC=C1O	REAL300000015144	1	47	0.0	-82.52	394.48	6.39	-76.13
CC(OC1=CC=C(C=NNC(=S)NCCC[NH+]2CCOCC2)C=C1)C(=O)[O-]	REAL300000015145	1	53	0.0	-78.62	434.59	9.21	-69.41
CC1=C(C(=O)[O-])C=C(C=NNC(=S)NCCC[NH+]2CCOCC2)N1	REAL300000015146	1	47	0.0	-73.20	390.93	6.55	-66.65
O=C([O-])C1=CC=CC(C=NNC(=S)NCCC[NH+]2CCOCC2)=C1	REAL300000015147	1	46	0.0	-81.03	385.69	8.32	-72.71
CC(=NNC(=S)NCCC[NH+]1CCOCC1)C1=CSC(C(=O)[O-])=C1	REAL300000015148	1	46	0.0	-67.16	392.09	7.96	-59.20
O=C([O-])C1(C2=CC=CC=C2)CC(=NNC(=S)NCCC[NH+]2CCOCC2)C1	REAL300000015149	1	53	0.0	-71.10	428.05	9.86	-61.24
CC(=NNC(=S)NCCC[NH+]1CCOCC1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	REAL300000015150	1	58	0.0	-72.34	438.09	10.15	-62.19
CC(CCCCCCC(=O)[O-])=NNC(=S)NCCC[NH+]1CCOCC1	REAL300000015151	1	57	0.0	-77.82	449.83	9.85	-67.97
CC1C(=NNC(=S)NCCC[NH+]2CCOCC2)CCC1CC(=O)[O-]	REAL300000015152	1	52	0.0	-74.40	408.82	8.41	-65.99
CC1C(=NNC(=S)NCCC[NH+]2CCOCC2)CCC(C(=O)[O-])C1(C)C	REAL300000015153	1	58	0.0	-75.39	424.71	8.73	-66.66
CC1CC(C(=O)[O-])CCC1=NNC(=S)NCCC[NH+]1CCOCC1	REAL300000015154	1	52	0.0	-75.50	401.93	8.22	-67.28
CC1CC(=NNC(=S)NCCC[NH+]2CCOCC2)CCC1C(=O)[O-]	REAL300000015155	1	52	0.0	-77.54	404.81	8.40	-69.14
O=C([O-])C1=CC(C=NNC(=S)NCCC[NH+]2CCOCC2)=CN1	REAL300000015156	1	44	0.0	-77.62	373.31	6.08	-71.54
CC(CC1(C(=O)[O-])CCC1)=NNC(=S)NCCC[NH+]1CCOCC1	REAL300000015157	1	52	0.0	-63.53	406.49	8.37	-55.16
CC1=CC(C)=C(C(=O)[O-])C=C1C=NNC(=S)NCCC[NH+]1CCOCC1	REAL300000015158	1	52	0.0	-84.00	419.14	9.94	-74.06
O=C([O-])C1=CC=CC(C=NNC(=S)NCCC[NH+]2CCOCC2)=C1Cl	REAL300000015159	1	46	0.0	-66.19	390.11	8.96	-57.23
O=C([O-])C1=CC=C(C=NNC(=S)NCCC[NH+]2CCOCC2)C=C1F	REAL300000015160	1	46	0.0	-81.46	390.06	8.35	-73.11
O=C([O-])C=CC1=CC=C(C=NNC(=S)NCCC[NH+]2CCOCC2)O1	REAL300000015161	1	47	0.0	-73.80	404.03	6.24	-67.56
O=C([O-])C1=CC=C2NC=C(C=NNC(=S)NCCC[NH+]3CCOCC3)C2=C1	REAL300000015162	1	50	0.0	-58.54	415.26	8.39	-50.15
O=C([O-])C1=CC=C(C=NNC(=S)NCCC[NH+]2CCOCC2)C=N1	REAL300000015163	1	45	0.0	-79.21	381.37	6.55	-72.66
O=C([O-])C1=CC=C(C=NNC(=S)NCCC[NH+]2CCOCC2)C=C1O	REAL300000015164	1	47	0.0	-79.56	394.34	6.38	-73.18
CC1=CC=C(C=NNC(=S)NCCC[NH+]2CCOCC2)C=C1C(=O)[O-]	REAL300000015165	1	49	0.0	-80.13	401.67	8.85	-71.28
O=C([O-])C1=C(Cl)SC(C=NNC(=S)NCCC[NH+]2CCOCC2)=C1	REAL300000015166	1	43	0.0	-76.57	391.00	7.87	-68.70
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CN1N=C(C(=O)[O-])C=C1C=NNC(=S)NCCC[NH+]1CCOCC1	REAL300000015168	1	46	0.0	-77.60	388.80	5.95	-71.65
CN1C=C(C(=O)[O-])C=C1C=NNC(=S)NCCC[NH+]1CCOCC1	REAL300000015169	1	47	0.0	-74.86	393.65	7.73	-67.13
CN(C)C1=CC=C(C(=O)[O-])C=C1C=NNC(=S)NCCC[NH+]1CCOCC1	REAL300000015170	1	54	0.0	-82.95	437.53	9.18	-73.77
CCC1=CC(C(=O)[O-])=C(C=NNC(=S)NCCC[NH+]2CCOCC2)S1	REAL300000015171	1	49	0.0	-74.30	416.29	8.79	-65.51
COC1=CC=C(C(=O)[O-])C=C1C=NNC(=S)NCCC[NH+]1CCOCC1	REAL300000015172	1	50	0.0	-82.26	412.75	7.97	-74.29
O=C([O-])C1=COC(C=NNC(=S)NCCC[NH+]2CCOCC2)=C1	REAL300000015173	1	43	0.0	-75.18	369.86	6.43	-68.75
CC1=CC=C(C=NNC(=S)NCCC[NH+]2CCOCC2)C(C(=O)[O-])=C1	REAL300000015174	1	49	0.0	-76.27	401.33	8.74	-67.53
COC1=CC(C=NNC(=S)NCCC[NH+]2CCOCC2)=CC=C1C(=O)[O-]	REAL300000015175	1	50	0.0	-83.45	412.82	8.40	-75.05
O=C([O-])C1=CC(F)=C(C=NNC(=S)NCCC[NH+]2CCOCC2)C(F)=C1	REAL300000015176	1	46	0.0	-67.22	395.47	8.48	-58.74
CC1=C(C(=O)[O-])NC(C=NNC(=S)NCCC[NH+]2CCOCC2)=C1	REAL300000015177	1	47	0.0	-69.75	390.73	6.47	-63.28
O=C([O-])C1=C(C=NNC(=S)NCCC[NH+]2CCOCC2)SC(Cl)=C1	REAL300000015178	1	43	0.0	-70.00	389.97	7.81	-62.19
O=C([O-])C1=C(C=NNC(=S)NCCC[NH+]2CCOCC2)SC=C1	REAL300000015179	1	43	0.0	-74.07	372.95	7.19	-66.88
O=C([O-])C1=CC(C=NNC(=S)NCCC[NH+]2CCOCC2)=CS1	REAL300000015180	1	43	0.0	-77.51	377.48	7.38	-70.13
COC1=CC=C(C)C(C=NNC(=S)NCCC[NH+]2CCOCC2)=C1C(=O)[O-]	REAL300000015181	1	53	0.0	-83.70	419.78	9.12	-74.58
O=C([O-])CCC1=CC=C(C=NNC(=S)NCCC[NH+]2CCOCC2)O1	REAL300000015182	1	49	0.0	-69.12	411.51	8.07	-61.05
O=C([O-])C1=C2NC=C(C=NNC(=S)NCCC[NH+]3CCOCC3)C2=CC=C1	REAL300000015183	1	50	0.0	-80.95	412.94	8.51	-72.44
O=C([O-])C1=CC2=CC(C=NNC(=S)NCCC[NH+]3CCOCC3)=CC=C2O1	REAL300000015184	1	49	0.0	-83.80	414.97	9.06	-74.74
O=C([O-])C1=CN=C2C(C=NNC(=S)NCCC[NH+]3CCOCC3)=CC=CN12	REAL300000015185	1	49	0.0	-86.12	410.54	8.61	-77.51
O=C([O-])C1=C(F)C=CC=C1C=NNC(=S)NCCC[NH+]1CCOCC1	REAL300000015186	1	46	0.0	-80.69	384.50	8.10	-72.59
O=C([O-])C1=CC=C2OCOC2=C1C=NNC(=S)NCCC[NH+]1CCOCC1	REAL300000015187	1	49	0.0	-72.20	405.17	6.86	-65.34
N#CC1=CC=C(C(=O)[O-])C(C=NNC(=S)NCCC[NH+]2CCOCC2)=C1	REAL300000015188	1	47	0.0	-66.64	400.70	8.45	-58.19
CC1=NSC(C=NNC(=S)NCCC[NH+]2CCOCC2)=C1C(=O)[O-]	REAL300000015189	1	45	0.0	-66.70	384.57	6.41	-60.29
COC1=CC(C(=O)[O-])=CC=C1C=NNC(=S)NCCC[NH+]1CCOCC1	REAL300000015190	1	50	0.0	-79.24	412.71	7.95	-71.29
O=C([O-])[C@H]1C[C@H](N2C=CC(C=NNC(=S)NCCC[NH+]3CCOCC3)=N2)C1	REAL300000015191	1	53	0.0	-73.57	433.60	7.83	-65.74
CC(C[NH+]1CCC(C)CC1)C(=O)NN=CC1=CC=C(C(=O)[O-])C=C1	REAL300000017435	0	49	0.0	-81.49	384.15	9.61	-71.88
CC(C[NH+]1CCC(C)CC1)C(=O)NN=CC1=CC=CC=C1OCC(=O)[O-]	REAL300000017436	0	53	0.0	-73.85	409.21	10.80	-63.05
CC(C[NH+]1CCC(C)CC1)C(=O)NN=CC1=CC=C(OCC(=O)[O-])C=C1	REAL300000017437	0	53	0.0	-79.14	415.42	9.93	-69.21
CC(C[NH+]1CCC(C)CC1)C(=O)NN=CC1=CC=CC=C1C(=O)[O-]	REAL300000017438	0	49	0.0	-64.90	378.59	9.41	-55.49
CC1=C(C(=O)[O-])OC2=C1C(=NNC(=O)C(C)C[NH+]1CCC(C)CC1)CCC2	REAL300000017439	0	56	0.0	-85.15	421.14	10.52	-74.63
CC(C[NH+]1CCC(C)CC1)C(=O)NN=CC1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000017440	0	56	0.0	-75.61	434.73	10.61	-65.00
CC(C[NH+]1CCC(C)CC1)C(=O)NN=CC1=CC=CC(OCCC(=O)[O-])=C1	REAL300000017441	0	56	0.0	-74.16	436.39	10.05	-64.11
CC(C[NH+]1CCC(C)CC1)C(=O)NN=CC1=CC=CC(OCC(=O)[O-])=C1	REAL300000017442	0	53	0.0	-75.06	415.44	9.93	-65.13
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CC(C[NH+]1CCC(C)CC1)C(=O)NN=CC1=CC=C(OC(F)(F)C(=O)[O-])C=C1	REAL300000017444	0	53	0.0	-76.76	424.74	9.47	-67.29
CC(C[NH+]1CCC(C)CC1)C(=O)NN=CC1=C2C=CC(C(=O)[O-])=CC2=NN1	REAL300000017445	0	52	0.0	-88.69	409.13	8.34	-80.35
CC(C[NH+]1CCC(C)CC1)C(=O)NN=CC1=NNC2=CC(C(=O)[O-])=CC=C12	REAL300000017445	1	52	0.0	-76.37	411.88	8.27	-68.10
CC(C[NH+]1CCC(C)CC1)C(=O)NN=CC1=CN(CC(=O)[O-])N=N1	REAL300000017446	0	48	0.0	-82.81	382.19	6.40	-76.41
CC(C[NH+]1CCC(C)CC1)C(=O)NN=CC1=CC=C(C(=O)[O-])C=C1Cl	REAL300000017447	0	49	0.0	-79.47	396.40	10.32	-69.15
CC(C[NH+]1CCC(C)CC1)C(=O)NN=CC1=CC=C(O)C(C(=O)[O-])=C1	REAL300000017448	0	50	0.0	-76.25	393.28	7.74	-68.51
CC(C[NH+]1CCC(C)CC1)C(=O)NN=CC1=CC=C(OC(C)C(=O)[O-])C=C1	REAL300000017449	0	56	0.0	-79.95	433.31	10.53	-69.42
CC(C[NH+]1CCC(C)CC1)C(=O)NN=CC1=CN(CC(=O)[O-])C2=CC=CC=C12	REAL300000017450	0	56	0.0	-74.47	439.01	11.94	-62.53
CC1=C(C(=O)[O-])C=C(C=NNC(=O)C(C)C[NH+]2CCC(C)CC2)N1	REAL300000017451	0	50	0.0	-87.19	389.63	7.89	-79.30
CC(C[NH+]1CCC(C)CC1)C(=O)NN=CC1=CC=CC(C(=O)[O-])=C1	REAL300000017452	0	49	0.0	-74.97	384.38	9.64	-65.33
CC(=NNC(=O)C(C)C[NH+]1CCC(C)CC1)C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000017453	0	59	0.0	-83.21	448.55	11.18	-72.03
CC(=NNC(=O)C(C)C[NH+]1CCC(C)CC1)C1=CSC(C(=O)[O-])=C1	REAL300000017454	0	49	0.0	-82.63	390.79	9.30	-73.33
CC(C[NH+]1CCC(C)CC1)C(=O)NN=C1CC(C(=O)[O-])(C2=CC=CC=C2)C1	REAL300000017455	0	56	0.0	-69.23	429.29	11.29	-57.94
CC(=NNC(=O)C(C)C[NH+]1CCC(C)CC1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	REAL300000017456	0	61	0.0	-73.89	441.00	11.46	-62.43
CC(CCCCCCC(=O)[O-])=NNC(=O)C(C)C[NH+]1CCC(C)CC1	REAL300000017457	0	60	0.0	-76.55	448.63	11.24	-65.31
CC(C[NH+]1CCC(C)CC1)C(=O)NN=C1CCC(CC(=O)[O-])C1C	REAL300000017458	0	55	0.0	-65.56	406.56	9.84	-55.72
CC(C[NH+]1CCC(C)CC1)C(=O)NN=C1CCC(C(=O)[O-])C(C)(C)C1C	REAL300000017459	0	61	0.0	-65.06	423.37	10.18	-54.88
CC(C[NH+]1CCC(C)CC1)C(=O)NN=C1CCC(C(=O)[O-])CC1C	REAL300000017460	0	55	0.0	-71.13	403.85	9.87	-61.26
CC(C[NH+]1CCC(C)CC1)C(=O)NN=C1CCC(C(=O)[O-])C(C)C1	REAL300000017461	0	55	0.0	-72.88	403.74	9.71	-63.17
CC(C[NH+]1CCC(C)CC1)C(=O)NN=CC1=CNC(C(=O)[O-])=C1	REAL300000017462	0	47	0.0	-73.57	372.01	7.41	-66.16
CC(CC1(C(=O)[O-])CCC1)=NNC(=O)C(C)C[NH+]1CCC(C)CC1	REAL300000017463	0	55	0.0	-67.80	404.93	9.89	-57.91
CC1=CC(C)=C(C(=O)[O-])C=C1C=NNC(=O)C(C)C[NH+]1CCC(C)CC1	REAL300000017464	0	55	0.0	-73.77	415.75	11.10	-62.67
CC(C[NH+]1CCC(C)CC1)C(=O)NN=CC1=CC=CC(C(=O)[O-])=C1Cl	REAL300000017465	0	49	0.0	-83.38	392.36	10.23	-73.15
CC(C[NH+]1CCC(C)CC1)C(=O)NN=CC1=CC=C(C(=O)[O-])C(F)=C1	REAL300000017466	0	49	0.0	-83.69	388.75	9.66	-74.03
CC(C[NH+]1CCC(C)CC1)C(=O)NN=CC1=CC=C(C=CC(=O)[O-])O1	REAL300000017467	0	50	0.0	-83.62	402.14	7.69	-75.93
CC(C[NH+]1CCC(C)CC1)C(=O)NN=CC1=CNC2=CC=C(C(=O)[O-])C=C12	REAL300000017468	0	53	0.0	-92.49	415.00	9.71	-82.78
CC(C[NH+]1CCC(C)CC1)C(=O)NN=CC1=CC=C(C(=O)[O-])N=C1	REAL300000017469	0	48	0.0	-85.32	380.06	7.87	-77.45
CC(C[NH+]1CCC(C)CC1)C(=O)NN=CC1=CC=C(C(=O)[O-])C(O)=C1	REAL300000017470	0	50	0.0	-82.86	393.14	7.73	-75.13
CC1=CC=C(C=NNC(=O)C(C)C[NH+]2CCC(C)CC2)C=C1C(=O)[O-]	REAL300000017471	0	52	0.0	-73.46	400.11	10.16	-63.30
CC(C[NH+]1CCC(C)CC1)C(=O)NN=CC1=CC(C(=O)[O-])=C(Cl)S1	REAL300000017472	0	46	0.0	-75.04	389.71	9.20	-65.84
CC(C[NH+]1CCC(C)CC1)C(=O)NN=CC1=CC(Cl)=NC=C1C(=O)[O-]	REAL300000017473	0	48	0.0	-54.43	389.82	8.21	-46.22
CC(C[NH+]1CCC(C)CC1)C(=O)NN=CC1=CC(C(=O)[O-])=NN1C	REAL300000017474	0	49	0.0	-90.33	387.49	7.26	-83.07
CC(C[NH+]1CCC(C)CC1)C(=O)NN=CC1=CC(C(=O)[O-])=CN1C	REAL300000017475	0	50	0.0	-89.63	392.34	9.06	-80.57
CC(C[NH+]1CCC(C)CC1)C(=O)NN=CC1=CC(C(=O)[O-])=CC=C1N(C)C	REAL300000017476	0	57	0.0	-73.38	436.22	10.50	-62.88
CCC1=CC(C(=O)[O-])=C(C=NNC(=O)C(C)C[NH+]2CCC(C)CC2)S1	REAL300000017477	0	52	0.0	-66.43	414.99	10.09	-56.34
COC1=CC=C(C(=O)[O-])C=C1C=NNC(=O)C(C)C[NH+]1CCC(C)CC1	REAL300000017478	0	53	0.0	-75.05	411.44	9.30	-65.75
CC(C[NH+]1CCC(C)CC1)C(=O)NN=CC1=CSC2=CC=C(C(=O)[O-])C=C12	REAL300000017479	0	52	0.0	-83.29	417.92	11.09	-72.20
CC(C[NH+]1CCC(C)CC1)C(=O)NN=CC1=CC(C(=O)[O-])=CO1	REAL300000017480	0	46	0.0	-72.27	367.54	7.82	-64.45
CC1=CC=C(C=NNC(=O)C(C)C[NH+]2CCC(C)CC2)C(C(=O)[O-])=C1	REAL300000017481	0	52	0.0	-65.24	399.97	10.08	-55.16
COC1=CC(C=NNC(=O)C(C)C[NH+]2CCC(C)CC2)=CC=C1C(=O)[O-]	REAL300000017482	0	53	0.0	-87.80	411.63	9.75	-78.05
CC(C[NH+]1CCC(C)CC1)C(=O)NN=CC1=C(F)C=C(C(=O)[O-])C=C1F	REAL300000017483	0	49	0.0	-72.21	394.17	9.82	-62.39
CC1=C(C(=O)[O-])NC(C=NNC(=O)C(C)C[NH+]2CCC(C)CC2)=C1	REAL300000017484	0	50	0.0	-81.27	389.43	7.80	-73.47
CC(C[NH+]1CCC(C)CC1)C(=O)NN=CC1=C(O)C(C(=O)[O-])=CC2=CC=CC=C21	REAL300000017485	0	56	0.0	-85.56	433.75	10.10	-75.46
CC(C[NH+]1CCC(C)CC1)C(=O)NN=CC1=C(C(=O)[O-])C=C(Cl)S1	REAL300000017486	0	46	0.0	-62.75	388.67	9.14	-53.61
CC(C[NH+]1CCC(C)CC1)C(=O)NN=CC1=C(C(=O)[O-])C=CS1	REAL300000017487	0	46	0.0	-65.92	371.65	8.51	-57.41
CC(C[NH+]1CCC(C)CC1)C(=O)NN=CC1=CSC(C(=O)[O-])=C1	REAL300000017488	0	46	0.0	-73.79	376.17	8.70	-65.09
COC1=CC=C(C)C(C=NNC(=O)C(C)C[NH+]2CCC(C)CC2)=C1C(=O)[O-]	REAL300000017489	0	56	0.0	-69.88	421.24	10.43	-59.45
CC(C[NH+]1CCC(C)CC1)C(=O)NN=CC1=CC=C(CCC(=O)[O-])O1	REAL300000017490	0	52	0.0	-79.52	410.20	9.38	-70.14
CC(C[NH+]1CCC(C)CC1)C(=O)NN=CC1=CNC2=C(C(=O)[O-])C=CC=C12	REAL300000017491	0	53	0.0	-76.17	412.11	9.93	-66.24
CC(C[NH+]1CCC(C)CC1)C(=O)NN=CC1=CC=C2OC(C(=O)[O-])=CC2=C1	REAL300000017492	0	52	0.0	-81.10	413.77	10.42	-70.68
CC(C[NH+]1CCC(C)CC1)C(=O)NN=CC1=CC=CN2C(C(=O)[O-])=CN=C12	REAL300000017493	0	52	0.0	-77.21	409.24	9.94	-67.27
CC(C[NH+]1CCC(C)CC1)C(=O)NN=CC1=CC=CC(F)=C1C(=O)[O-]	REAL300000017494	0	49	0.0	-68.08	383.11	9.45	-58.63
CC(C[NH+]1CCC(C)CC1)C(=O)NN=CC1=C(C(=O)[O-])C=CC2=C1OCO2	REAL300000017495	0	52	0.0	-63.22	403.77	8.20	-55.02
CC(C[NH+]1CCC(C)CC1)C(=O)NN=CC1=CC(C#N)=CC=C1C(=O)[O-]	REAL300000017496	0	50	0.0	-59.13	399.35	9.79	-49.34
CC(C[NH+]1CCC(C)CC1)C(=O)NN=CC1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000017497	0	53	0.0	-81.24	431.53	10.49	-70.75
CC1=NSC(C=NNC(=O)C(C)C[NH+]2CCC(C)CC2)=C1C(=O)[O-]	REAL300000017498	0	48	0.0	-61.53	383.27	7.74	-53.79
COC1=CC(C(=O)[O-])=CC=C1C=NNC(=O)C(C)C[NH+]1CCC(C)CC1	REAL300000017499	0	53	0.0	-80.87	411.40	9.27	-71.60
CC(C[NH+]1CCC(C)CC1)C(=O)NN=CC1=NN([C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300000017500	0	56	0.0	-78.61	432.30	9.16	-69.45
CC(C[NH+]1CCOCC1)C(=O)NN=CC1=CC=C(C(=O)[O-])C=C1	REAL300000017501	0	44	0.0	-84.23	354.60	6.61	-77.62
CC(C[NH+]1CCOCC1)C(=O)NN=CC1=CC=CC=C1OCC(=O)[O-]	REAL300000017502	0	48	0.0	-76.57	379.66	7.80	-68.77
CC(C[NH+]1CCOCC1)C(=O)NN=CC1=CC=C(OCC(=O)[O-])C=C1	REAL300000017503	0	48	0.0	-81.71	385.87	6.93	-74.78
CC(C[NH+]1CCOCC1)C(=O)NN=CC1=CC=CC=C1C(=O)[O-]	REAL300000017504	0	44	0.0	-85.78	352.79	6.92	-78.86
CC1=C(C(=O)[O-])OC2=C1C(=NNC(=O)C(C)C[NH+]1CCOCC1)CCC2	REAL300000017505	0	51	0.0	-87.89	391.59	7.51	-80.38
CC(C[NH+]1CCOCC1)C(=O)NN=CC1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000017506	0	51	0.0	-77.92	403.59	7.50	-70.42
CC(C[NH+]1CCOCC1)C(=O)NN=CC1=CC=CC(OCCC(=O)[O-])=C1	REAL300000017507	0	51	0.0	-76.60	406.84	7.05	-69.55
CC(C[NH+]1CCOCC1)C(=O)NN=CC1=CC=C(OCC(=O)[O-])C([N+](=O)[O-])=C1	REAL300000017508	0	50	0.0	-90.61	411.85	8.09	-82.52
CC(C[NH+]1CCOCC1)C(=O)NN=CC1=CC=CC(OCC(=O)[O-])=C1	REAL300000017509	0	48	0.0	-77.39	385.89	6.92	-70.47
COC1=CC=C(C=NNC(=O)C(C)C[NH+]2CCOCC2)C(OCC(=O)[O-])=C1	REAL300000017510	0	52	0.0	-79.13	409.02	7.10	-72.03
CC(C[NH+]1CCOCC1)C(=O)NN=CC1=CC=C(OC(F)(F)C(=O)[O-])C=C1	REAL300000017511	0	48	0.0	-78.88	395.14	7.10	-71.78
COC1=C2OC(C(=O)[O-])=CC2=C(C=NNC(=O)C(C)C[NH+]2CCOCC2)C=C1	REAL300000017512	0	51	0.0	-93.18	410.44	6.73	-86.45
CC(C[NH+]1CCOCC1)C(=O)NN=CC1=C2C=CC(C(=O)[O-])=CC2=NN1	REAL300000017513	0	47	0.0	-91.41	379.58	5.33	-86.08
CC(C[NH+]1CCOCC1)C(=O)NN=CC1=NNC2=CC(C(=O)[O-])=CC=C12	REAL300000017513	1	47	0.0	-83.80	382.92	5.15	-78.65
CC(C[NH+]1CCOCC1)C(=O)NN=CC1=CN(CC(=O)[O-])N=N1	REAL300000017514	0	43	0.0	-85.46	352.65	3.39	-82.07
COC1=CC(C=NNC(=O)C(C)C[NH+]2CCOCC2)=CC=C1OCCC(=O)[O-]	REAL300000017515	0	55	0.0	-82.71	436.03	6.96	-75.75
CC(C[NH+]1CCOCC1)C(=O)NN=CC1=CC=C(C(=O)[O-])C=C1Cl	REAL300000017516	0	44	0.0	-82.12	366.87	7.33	-74.79
CC(C[NH+]1CCOCC1)C(=O)NN=CC1=CC=C(O)C(C(=O)[O-])=C1	REAL300000017517	0	45	0.0	-78.88	363.62	4.70	-74.18
CC(C[NH+]1CCOCC1)C(=O)NN=CC1=CC=C(OC(C)C(=O)[O-])C=C1	REAL300000017518	0	51	0.0	-82.23	403.73	7.53	-74.70
CC(C[NH+]1CCOCC1)C(=O)NN=CC1=CN(CC(=O)[O-])C2=CC=CC=C12	REAL300000017519	0	51	0.0	-76.96	409.46	8.94	-68.02
CC1=C(C(=O)[O-])C=C(C=NNC(=O)C(C)C[NH+]2CCOCC2)N1	REAL300000017520	0	45	0.0	-89.90	360.10	4.88	-85.02
CC(C[NH+]1CCOCC1)C(=O)NN=CC1=CC=CC(C(=O)[O-])=C1	REAL300000017521	0	44	0.0	-77.45	354.82	6.63	-70.82
CC(=NNC(=O)C(C)C[NH+]1CCOCC1)C1=CC=CC(OCCCC(=O)[O-])=C1	REAL300000017522	0	57	0.0	-83.91	442.17	8.39	-75.52
CC(CCC1=CC=C(OCC(=O)[O-])C=C1)=NNC(=O)C(C)C[NH+]1CCOCC1	REAL300000017523	0	57	0.0	-83.92	446.56	9.08	-74.84
CC(=NNC(=O)C(C)C[NH+]1CCOCC1)C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000017524	0	54	0.0	-86.04	417.59	8.09	-77.95
CC(=NNC(=O)C(C)C[NH+]1CCOCC1)C1=CSC(C(=O)[O-])=C1	REAL300000017525	0	44	0.0	-85.20	361.23	6.31	-78.89
CC(C[NH+]1CCOCC1)C(=O)NN=C1CC(C(=O)[O-])(C2=CC=CC=C2)C1	REAL300000017526	0	51	0.0	-71.58	399.79	8.31	-63.27
CC(=NNC(=O)C(C)C[NH+]1CCOCC1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	REAL300000017527	0	56	0.0	-76.40	411.35	8.43	-67.97
CC(CCCCCCC(=O)[O-])=NNC(=O)C(C)C[NH+]1CCOCC1	REAL300000017528	0	55	0.0	-79.23	418.98	8.19	-71.04
CC(C[NH+]1CCOCC1)C(=O)NN=C1CCC(CC(=O)[O-])C1C	REAL300000017529	0	50	0.0	-72.69	377.97	6.74	-65.95
CC(C[NH+]1CCOCC1)C(=O)NN=C1CCC(C(=O)[O-])C(C)(C)C1C	REAL300000017530	0	56	0.0	-71.14	393.87	7.07	-64.07
CC(C[NH+]1CCOCC1)C(=O)NN=C1CCC(C(=O)[O-])CC1C	REAL300000017531	0	50	0.0	-73.26	374.30	6.86	-66.40
CC(C[NH+]1CCOCC1)C(=O)NN=C1CCC(C(=O)[O-])C(C)C1	REAL300000017532	0	50	0.0	-75.31	373.99	6.73	-68.58
CC(C[NH+]1CCOCC1)C(=O)NN=CC1=CNC(C(=O)[O-])=C1	REAL300000017533	0	42	0.0	-76.11	342.46	4.42	-71.69
CC(CC1(C(=O)[O-])CCC1)=NNC(=O)C(C)C[NH+]1CCOCC1	REAL300000017534	0	50	0.0	-78.72	375.63	6.73	-71.99
CC1=CC(C)=C(C(=O)[O-])C=C1C=NNC(=O)C(C)C[NH+]1CCOCC1	REAL300000017535	0	50	0.0	-78.43	390.80	8.22	-70.21
CC(C[NH+]1CCOCC1)C(=O)NN=CC1=CC=CC(C(=O)[O-])=C1Cl	REAL300000017536	0	44	0.0	-86.05	362.80	7.23	-78.82
CC(C[NH+]1CCOCC1)C(=O)NN=CC1=CC=C(C(=O)[O-])C(F)=C1	REAL300000017537	0	44	0.0	-86.25	359.21	6.66	-79.59
CC(C[NH+]1CCOCC1)C(=O)NN=CC1=CC=C(C=CC(=O)[O-])O1	REAL300000017538	0	45	0.0	-92.41	373.18	4.57	-87.84
CC(C[NH+]1CCOCC1)C(=O)NN=CC1=CNC2=CC=C(C(=O)[O-])C=C12	REAL300000017539	0	48	0.0	-95.14	385.46	6.70	-88.44
CC(C[NH+]1CCOCC1)C(=O)NN=CC1=CC=C(C(=O)[O-])N=C1	REAL300000017540	0	43	0.0	-87.92	350.51	4.87	-83.05
CC(C[NH+]1CCOCC1)C(=O)NN=CC1=CC=C(C(=O)[O-])C(O)=C1	REAL300000017541	0	45	0.0	-85.64	363.48	4.69	-80.95
CC1=CC=C(C=NNC(=O)C(C)C[NH+]2CCOCC2)C=C1C(=O)[O-]	REAL300000017542	0	47	0.0	-76.19	370.81	7.17	-69.02
CC(C[NH+]1CCOCC1)C(=O)NN=CC1=CC(C(=O)[O-])=C(Cl)S1	REAL300000017543	0	41	0.0	-77.66	360.16	6.19	-71.47
CC(C[NH+]1CCOCC1)C(=O)NN=CC1=CC(Cl)=NC=C1C(=O)[O-]	REAL300000017544	0	43	0.0	-61.03	361.22	5.08	-55.95
CC(C[NH+]1CCOCC1)C(=O)NN=CC1=CC(C(=O)[O-])=NN1C	REAL300000017545	0	44	0.0	-93.03	357.95	4.26	-88.77
CC(C[NH+]1CCOCC1)C(=O)NN=CC1=CC(C(=O)[O-])=CN1C	REAL300000017546	0	45	0.0	-92.30	362.77	6.06	-86.24
CC(C[NH+]1CCOCC1)C(=O)NN=CC1=CC(C(=O)[O-])=CC=C1N(C)C	REAL300000017547	0	52	0.0	-75.80	406.67	7.49	-68.31
CCC1=CC(C(=O)[O-])=C(C=NNC(=O)C(C)C[NH+]2CCOCC2)S1	REAL300000017548	0	47	0.0	-68.70	385.44	7.09	-61.61
COC1=CC=C(C(=O)[O-])C=C1C=NNC(=O)C(C)C[NH+]1CCOCC1	REAL300000017549	0	48	0.0	-77.53	381.89	6.29	-71.24
CC(C[NH+]1CCOCC1)C(=O)NN=CC1=CSC2=CC=C(C(=O)[O-])C=C12	REAL300000017550	0	47	0.0	-86.09	388.37	8.08	-78.01
CC(C[NH+]1CCOCC1)C(=O)NN=CC1=CC(C(=O)[O-])=CO1	REAL300000017551	0	41	0.0	-79.75	338.58	4.72	-75.03
CC(C[NH+]1CCOCC1)C(=O)NN=CC1=CC(C(=O)[O-])=CC=C1Br	REAL300000017552	0	44	0.0	-73.46	370.64	7.49	-65.97
CC1=CC=C(C=NNC(=O)C(C)C[NH+]2CCOCC2)C(C(=O)[O-])=C1	REAL300000017553	0	47	0.0	-67.50	370.43	7.07	-60.43
COC1=CC(C=NNC(=O)C(C)C[NH+]2CCOCC2)=CC=C1C(=O)[O-]	REAL300000017554	0	48	0.0	-90.63	381.97	6.71	-83.92
CC(C[NH+]1CCOCC1)C(=O)NN=CC1=C(F)C=C(C(=O)[O-])C=C1F	REAL300000017555	0	44	0.0	-74.73	364.62	6.81	-67.92
CC1=C(C(=O)[O-])NC(C=NNC(=O)C(C)C[NH+]2CCOCC2)=C1	REAL300000017556	0	45	0.0	-83.85	359.88	4.79	-79.06
CC(C[NH+]1CCOCC1)C(=O)NN=CC1=C(O)C(C(=O)[O-])=CC2=CC=CC=C21	REAL300000017557	0	51	0.0	-88.18	404.19	7.09	-81.09
CC(C[NH+]1CCOCC1)C(=O)NN=CC1=C(C(=O)[O-])C=C(Cl)S1	REAL300000017558	0	41	0.0	-65.04	359.12	6.13	-58.91
CC(C[NH+]1CCOCC1)C(=O)NN=CC1=C(C(=O)[O-])C=CS1	REAL300000017559	0	41	0.0	-68.16	342.11	5.51	-62.65
CC(C[NH+]1CCOCC1)C(=O)NN=CC1=CSC(C(=O)[O-])=C1	REAL300000017560	0	41	0.0	-76.27	346.62	5.71	-70.56
CCOC1=CC(C=NNC(=O)C(C)C[NH+]2CCOCC2)=CC=C1OCC(=O)[O-]	REAL300000017561	0	55	0.0	-87.68	436.93	7.60	-80.08
CC(C[NH+]1CCOCC1)C(=O)NN=CC1=CN(C2CCOCC2)N=C1C(=O)[O-]	REAL300000017562	0	55	0.0	-87.87	425.18	5.67	-82.20
COC1=CC=C(C)C(C=NNC(=O)C(C)C[NH+]2CCOCC2)=C1C(=O)[O-]	REAL300000017563	0	51	0.0	-92.26	399.04	6.78	-85.48
CC(C[NH+]1CCOCC1)C(=O)NN=CC1=C(C(=O)[O-])N(C)C2=CC=C(F)C=C21	REAL300000017564	0	51	0.0	-65.11	406.58	8.06	-57.05
CC(C[NH+]1CCOCC1)C(=O)NN=CC1=CC=C(CCC(=O)[O-])O1	REAL300000017565	0	47	0.0	-82.19	380.66	6.38	-75.81
CC(C[NH+]1CCOCC1)C(=O)NN=CC1=CNC2=C(C(=O)[O-])C=CC=C12	REAL300000017566	0	48	0.0	-83.62	383.14	6.83	-76.79
CC(C[NH+]1CCOCC1)C(=O)NN=CC1=CC=C2OC(C(=O)[O-])=CC2=C1	REAL300000017567	0	47	0.0	-83.73	384.11	7.39	-76.34
CC(C[NH+]1CCOCC1)C(=O)NN=CC1=CC=CN2C(C(=O)[O-])=CN=C12	REAL300000017568	0	47	0.0	-79.65	379.69	6.94	-72.71
CC(C[NH+]1CCOCC1)C(=O)NN=CC1=CC=CC(F)=C1C(=O)[O-]	REAL300000017569	0	44	0.0	-70.28	353.57	6.44	-63.84
CC(C[NH+]1CCOCC1)C(=O)NN=CC1=CC=CC(Br)=C1C(=O)[O-]	REAL300000017570	0	44	0.0	-64.96	365.28	6.89	-58.07
CC(C[NH+]1CCOCC1)C(=O)NN=CC1=C(C(=O)[O-])C=CC2=C1OCO2	REAL300000017571	0	47	0.0	-78.85	378.81	5.60	-73.25
CC(C[NH+]1CCOCC1)C(=O)NN=CC1=CC(C#N)=CC=C1C(=O)[O-]	REAL300000017572	0	45	0.0	-61.40	369.80	6.77	-54.63
CC(C[NH+]1CCOCC1)C(=O)NN=CC1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000017573	0	48	0.0	-83.91	401.87	7.45	-76.46
CC1=NSC(C=NNC(=O)C(C)C[NH+]2CCOCC2)=C1C(=O)[O-]	REAL300000017574	0	43	0.0	-63.88	353.72	4.73	-59.15
CC(C[NH+]1CCOCC1)C(=O)NN=CC1=C2C=C(C(=O)[O-])SC2=CC=C1F	REAL300000017575	0	47	0.0	-73.91	395.18	8.21	-65.70
COC1=CC(C(=O)[O-])=CC=C1C=NNC(=O)C(C)C[NH+]1CCOCC1	REAL300000017576	0	48	0.0	-83.62	381.84	6.27	-77.35
CC(C[NH+]1CCOCC1)C(=O)NN=CC1=NN([C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300000017577	0	51	0.0	-81.14	402.82	6.17	-74.97
CC(C[NH+]1CCCCC1)C(=O)NN=CC1=CC=C(C(=O)[O-])C=C1	REAL300000017578	0	46	0.0	-80.92	363.30	9.01	-71.91
CC(C[NH+]1CCCCC1)C(=O)NN=CC1=CC=CC=C1OCC(=O)[O-]	REAL300000017579	0	50	0.0	-73.34	388.47	10.21	-63.13
CC(C[NH+]1CCCCC1)C(=O)NN=CC1=CC=C(OCC(=O)[O-])C=C1	REAL300000017580	0	50	0.0	-78.46	394.57	9.33	-69.13
CC(C[NH+]1CCCCC1)C(=O)NN=CC1=CC=CC=C1C(=O)[O-]	REAL300000017581	0	46	0.0	-64.19	357.78	8.80	-55.39
CC1=C(C(=O)[O-])OC2=C1C(=NNC(=O)C(C)C[NH+]1CCCCC1)CCC2	REAL300000017582	0	53	0.0	-84.43	400.33	9.92	-74.51
CC(C[NH+]1CCCCC1)C(=O)NN=CC1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000017583	0	53	0.0	-74.66	412.31	9.91	-64.75
CC(C[NH+]1CCCCC1)C(=O)NN=CC1=CC=CC(OCCC(=O)[O-])=C1	REAL300000017584	0	53	0.0	-73.30	415.65	9.46	-63.84
CC(C[NH+]1CCCCC1)C(=O)NN=CC1=CC=C(OCC(=O)[O-])C([N+](=O)[O-])=C1	REAL300000017585	0	52	0.0	-87.15	420.58	10.49	-76.66
CC(C[NH+]1CCCCC1)C(=O)NN=CC1=CC=CC(OCC(=O)[O-])=C1	REAL300000017586	0	50	0.0	-74.13	394.70	9.34	-64.79
COC1=CC=C(C=NNC(=O)C(C)C[NH+]2CCCCC2)C(OCC(=O)[O-])=C1	REAL300000017587	0	54	0.0	-66.98	417.53	9.57	-57.41
CC(C[NH+]1CCCCC1)C(=O)NN=CC1=CC=C(OC(F)(F)C(=O)[O-])C=C1	REAL300000017588	0	50	0.0	-75.59	403.84	9.49	-66.10
CC(C[NH+]1CCCCC1)C(=O)NN=CC1=C(Br)C=C(C(=O)[O-])N1C	REAL300000017589	0	47	0.0	-75.91	384.87	8.93	-66.98
COC1=C2OC(C(=O)[O-])=CC2=C(C=NNC(=O)C(C)C[NH+]2CCCCC2)C=C1	REAL300000017590	0	53	0.0	-89.87	419.19	9.13	-80.74
CC(C[NH+]1CCCCC1)C(=O)NN=CC1=C2C=CC(C(=O)[O-])=CC2=NN1	REAL300000017591	0	49	0.0	-87.94	388.33	7.74	-80.20
CC(C[NH+]1CCCCC1)C(=O)NN=CC1=NNC2=CC(C(=O)[O-])=CC=C12	REAL300000017591	1	49	0.0	-80.50	391.72	7.58	-72.92
CC(C[NH+]1CCCCC1)C(=O)NN=CC1=CN(CC(=O)[O-])N=N1	REAL300000017592	0	45	0.0	-82.13	361.38	5.80	-76.33
COC1=CC(C=NNC(=O)C(C)C[NH+]2CCCCC2)=CC=C1OCCC(=O)[O-]	REAL300000017593	0	57	0.0	-79.32	444.76	9.36	-69.96
CC(C[NH+]1CCCCC1)C(=O)NN=CC1=CC=C(C(=O)[O-])C=C1Cl	REAL300000017594	0	46	0.0	-73.52	375.36	9.84	-63.68
CC(C[NH+]1CCCCC1)C(=O)NN=CC1=CC=C(O)C(C(=O)[O-])=C1	REAL300000017595	0	47	0.0	-75.58	372.36	7.10	-68.48
CC(C[NH+]1CCCCC1)C(=O)NN=CC1=CC=C(OC(C)C(=O)[O-])C=C1	REAL300000017596	0	53	0.0	-79.24	414.08	10.00	-69.24
CC(C[NH+]1CCCCC1)C(=O)NN=CC1=CN(CC(=O)[O-])C2=CC=CC=C12	REAL300000017597	0	53	0.0	-73.67	418.26	11.35	-62.32
CC1=C(C(=O)[O-])C=C(C=NNC(=O)C(C)C[NH+]2CCCCC2)N1	REAL300000017598	0	47	0.0	-80.31	368.59	7.40	-72.91
CC(C[NH+]1CCCCC1)C(=O)NN=CC1=CC=CC(C(=O)[O-])=C1	REAL300000017599	0	46	0.0	-74.19	363.64	9.05	-65.14
CC(=NNC(=O)C(C)C[NH+]1CCCCC1)C1=CC=CC(OCCCC(=O)[O-])=C1	REAL300000017600	0	59	0.0	-80.53	450.90	10.79	-69.74
CC(CCC1=CC=C(OCC(=O)[O-])C=C1)=NNC(=O)C(C)C[NH+]1CCCCC1	REAL300000017601	0	59	0.0	-80.53	453.59	11.44	-69.09
CC(=NNC(=O)C(C)C[NH+]1CCCCC1)C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000017602	0	56	0.0	-82.58	426.39	10.52	-72.06
CC(=NNC(=O)C(C)C[NH+]1CCCCC1)C1=CSC(C(=O)[O-])=C1	REAL300000017603	0	46	0.0	-81.98	369.98	8.70	-73.28
CC(C[NH+]1CCCCC1)C(=O)NN=C1CC(C(=O)[O-])(C2=CC=CC=C2)C1	REAL300000017604	0	53	0.0	-67.90	404.86	10.57	-57.33
CC(=NNC(=O)C(C)C[NH+]1CCCCC1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	REAL300000017605	0	58	0.0	-73.36	420.06	10.81	-62.55
CC(CCCCCCC(=O)[O-])=NNC(=O)C(C)C[NH+]1CCCCC1	REAL300000017606	0	57	0.0	-75.94	427.68	10.59	-65.35
CC(C[NH+]1CCCCC1)C(=O)NN=C1CCC(CC(=O)[O-])C1C	REAL300000017607	0	52	0.0	-69.46	386.80	9.16	-60.30
CC(C[NH+]1CCCCC1)C(=O)NN=C1CCC(C(=O)[O-])C(C)(C)C1C	REAL300000017608	0	58	0.0	-68.76	403.36	9.45	-59.31
CC(C[NH+]1CCCCC1)C(=O)NN=C1CCC(C(=O)[O-])CC1C	REAL300000017609	0	52	0.0	-71.13	379.97	8.97	-62.16
CC(C[NH+]1CCCCC1)C(=O)NN=C1CCC(C(=O)[O-])C(C)C1	REAL300000017610	0	52	0.0	-69.83	374.70	8.78	-61.05
CC(C[NH+]1CCCCC1)C(=O)NN=CC1=CNC(C(=O)[O-])=C1	REAL300000017611	0	44	0.0	-72.78	351.20	6.82	-65.96
CC(CC1(C(=O)[O-])CCC1)=NNC(=O)C(C)C[NH+]1CCCCC1	REAL300000017612	0	52	0.0	-74.60	384.59	9.13	-65.47
CC(=NNC(=O)C(C)C[NH+]1CCCCC1)C1=C(CC(=O)[O-])C2=CC=C(C)C=C2O1	REAL300000017613	0	58	0.0	-79.89	448.59	11.80	-68.09
CC1=CC(C)=C(C(=O)[O-])C=C1C=NNC(=O)C(C)C[NH+]1CCCCC1	REAL300000017614	0	52	0.0	-73.02	395.13	10.51	-62.51
CC(C[NH+]1CCCCC1)C(=O)NN=CC1=CC=CC(C(=O)[O-])=C1Cl	REAL300000017615	0	46	0.0	-82.76	371.55	9.63	-73.13
CC(C[NH+]1CCCCC1)C(=O)NN=CC1=CC=C(C(=O)[O-])C(F)=C1	REAL300000017616	0	46	0.0	-82.87	368.01	9.07	-73.80
CC(C[NH+]1CCCCC1)C(=O)NN=CC1=CC=C(C=CC(=O)[O-])O1	REAL300000017617	0	47	0.0	-88.99	381.97	7.00	-81.99
CC(C[NH+]1CCCCC1)C(=O)NN=CC1=CNC2=CC=C(C(=O)[O-])C=C12	REAL300000017618	0	50	0.0	-91.88	394.19	9.11	-82.77
CC(C[NH+]1CCCCC1)C(=O)NN=CC1=CC=C(C(=O)[O-])N=C1	REAL300000017619	0	45	0.0	-84.53	359.31	7.29	-77.24
CC(C[NH+]1CCCCC1)C(=O)NN=CC1=CC=C(C(=O)[O-])C(O)=C1	REAL300000017620	0	47	0.0	-82.19	372.23	7.09	-75.10
CC1=CC=C(C=NNC(=O)C(C)C[NH+]2CCCCC2)C=C1C(=O)[O-]	REAL300000017621	0	49	0.0	-74.98	383.62	9.68	-65.30
CC(C[NH+]1CCCCC1)C(=O)NN=CC1=CC(C(=O)[O-])=C(Cl)S1	REAL300000017622	0	43	0.0	-74.29	368.90	8.60	-65.69
CC(C[NH+]1CCCCC1)C(=O)NN=CC1=CC(Cl)=NC=C1C(=O)[O-]	REAL300000017623	0	45	0.0	-58.06	370.01	7.50	-50.56
CC(C[NH+]1CCCCC1)C(=O)NN=CC1=CC(C(=O)[O-])=NN1C	REAL300000017624	0	46	0.0	-89.63	366.68	6.66	-82.97
CC(C[NH+]1CCCCC1)C(=O)NN=CC1=CC=C(C2=CC=C(O)C(C(=O)[O-])=C2)O1	REAL300000017625	0	54	0.0	-92.41	433.60	8.86	-83.55
CC(C[NH+]1CCCCC1)C(=O)NN=CC1=CC(C(=O)[O-])=CN1C	REAL300000017626	0	47	0.0	-88.94	371.53	8.46	-80.48
CC(C[NH+]1CCCCC1)C(=O)NN=CC1=CC(C(=O)[O-])=CC=C1N(C)C	REAL300000017627	0	54	0.0	-72.62	415.48	9.91	-62.71
CC(C[NH+]1CCCCC1)C(=O)NN=CC1=CC=C(C2=CC=CC(C(=O)[O-])=C2)S1	REAL300000017628	0	53	0.0	-88.29	432.10	11.75	-76.54
CCC1=CC(C(=O)[O-])=C(C=NNC(=O)C(C)C[NH+]2CCCCC2)S1	REAL300000017629	0	49	0.0	-65.63	394.24	9.50	-56.13
COC1=CC=C(C(=O)[O-])C=C1C=NNC(=O)C(C)C[NH+]1CCCCC1	REAL300000017630	0	50	0.0	-69.81	390.40	8.81	-61.00
CC(C[NH+]1CCCCC1)C(=O)NN=CC1=CSC2=CC=C(C(=O)[O-])C=C12	REAL300000017631	0	49	0.0	-82.78	397.12	10.48	-72.30
CC(C[NH+]1CCCCC1)C(=O)NN=CC1=CC(C(=O)[O-])=CO1	REAL300000017632	0	43	0.0	-76.48	347.38	7.13	-69.35
CC(C[NH+]1CCCCC1)C(=O)NN=CC1=CC(C(=O)[O-])=CC=C1Br	REAL300000017633	0	46	0.0	-65.88	379.16	10.01	-55.87
CC1=CC=C(C=NNC(=O)C(C)C[NH+]2CCCCC2)C(C(=O)[O-])=C1	REAL300000017634	0	49	0.0	-60.26	378.54	9.62	-50.64
COC1=CC(C=NNC(=O)C(C)C[NH+]2CCCCC2)=CC=C1C(=O)[O-]	REAL300000017635	0	50	0.0	-87.26	390.71	9.11	-78.15
CC(C[NH+]1CCCCC1)C(=O)NN=CC1=C(F)C=C(C(=O)[O-])C=C1F	REAL300000017636	0	46	0.0	-71.54	373.32	9.21	-62.33
CC1=C(C(=O)[O-])NC(C=NNC(=O)C(C)C[NH+]2CCCCC2)=C1	REAL300000017637	0	47	0.0	-74.61	368.39	7.32	-67.29
CC(C[NH+]1CCCCC1)C(=O)NN=CC1=C(O)C(C(=O)[O-])=CC2=CC=CC=C21	REAL300000017638	0	53	0.0	-84.72	413.00	9.51	-75.21
CC(C[NH+]1CCCCC1)C(=O)NN=CC1=C(C(=O)[O-])C=C(Cl)S1	REAL300000017639	0	43	0.0	-62.05	367.92	8.55	-53.50
CC(C[NH+]1CCCCC1)C(=O)NN=CC1=C(C(=O)[O-])C=CS1	REAL300000017640	0	43	0.0	-65.20	350.90	7.93	-57.27
CC(C[NH+]1CCCCC1)C(=O)NN=CC1=CSC(C(=O)[O-])=C1	REAL300000017641	0	43	0.0	-72.99	355.36	8.11	-64.88
CCOC1=CC(C=NNC(=O)C(C)C[NH+]2CCCCC2)=CC=C1OCC(=O)[O-]	REAL300000017642	0	57	0.0	-84.30	445.67	10.00	-74.30
CC(C[NH+]1CCCCC1)C(=O)NN=CC1=CN(C2CCOCC2)N=C1C(=O)[O-]	REAL300000017643	0	57	0.0	-76.49	433.68	8.20	-68.29
COC1=CC=C(C)C(C=NNC(=O)C(C)C[NH+]2CCCCC2)=C1C(=O)[O-]	REAL300000017644	0	53	0.0	-69.30	400.59	9.81	-59.49
CC(C[NH+]1CCCCC1)C(=O)NN=CC1=C(C(=O)[O-])N(C)C2=CC=C(F)C=C21	REAL300000017645	0	53	0.0	-62.07	415.38	10.46	-51.61
CC(C[NH+]1CCCCC1)C(=O)NN=CC1=CC=C(CCC(=O)[O-])O1	REAL300000017646	0	49	0.0	-72.78	389.16	8.90	-63.88
CC(C[NH+]1CCCCC1)C(=O)NN=CC1=CNC2=C(C(=O)[O-])C=CC=C12	REAL300000017647	0	50	0.0	-80.34	391.95	9.24	-71.10
CC(C[NH+]1CCCCC1)C(=O)NN=CC1=CC=C2OC(C(=O)[O-])=CC2=C1	REAL300000017648	0	49	0.0	-80.49	392.81	9.77	-70.72
CC(C[NH+]1CCCCC1)C(=O)NN=CC1=CC=CN2C(C(=O)[O-])=CN=C12	REAL300000017649	0	49	0.0	-76.40	388.43	9.34	-67.06
CC(C[NH+]1CCCCC1)C(=O)NN=CC1=CC=CC(F)=C1C(=O)[O-]	REAL300000017650	0	46	0.0	-67.33	362.31	8.83	-58.50
CC(C[NH+]1CCCCC1)C(=O)NN=CC1=CC=CC(Br)=C1C(=O)[O-]	REAL300000017651	0	46	0.0	-61.98	374.03	9.29	-52.69
CC(C[NH+]1CCCCC1)C(=O)NN=CC1=C(C(=O)[O-])C=CC2=C1OCO2	REAL300000017652	0	49	0.0	-62.48	382.97	7.59	-54.89
CC(C[NH+]1CCCCC1)C(=O)NN=CC1=CC(C#N)=CC=C1C(=O)[O-]	REAL300000017653	0	47	0.0	-53.91	377.92	9.33	-44.58
CC(C[NH+]1CCCCC1)C(=O)NN=CC1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000017654	0	50	0.0	-80.54	410.61	9.85	-70.69
CC1=NSC(C=NNC(=O)C(C)C[NH+]2CCCCC2)=C1C(=O)[O-]	REAL300000017655	0	45	0.0	-60.78	362.46	7.13	-53.65
CC(C[NH+]1CCCCC1)C(=O)NN=CC1=C2C=C(C(=O)[O-])SC2=CC=C1F	REAL300000017656	0	49	0.0	-70.79	403.92	10.61	-60.18
COC1=CC(C(=O)[O-])=CC=C1C=NNC(=O)C(C)C[NH+]1CCCCC1	REAL300000017657	0	50	0.0	-74.98	390.36	8.80	-66.18
CC(C[NH+]1CCCCC1)C(=O)NN=CC1=NN([C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300000017658	0	53	0.0	-77.78	411.54	8.57	-69.21
CC(C[NH+]1CC(C)OC(C)C1)C(=O)NN=CC1=CC=C(C(=O)[O-])C=C1	REAL300000017843	0	50	0.0	-83.16	390.28	8.07	-75.09
CC(C[NH+]1CC(C)OC(C)C1)C(=O)NN=CC1=CC=CC=C1OCC(=O)[O-]	REAL300000017844	0	54	0.0	-74.70	415.33	9.25	-65.45
CC(C[NH+]1CC(C)OC(C)C1)C(=O)NN=CC1=CC=C(OCC(=O)[O-])C=C1	REAL300000017845	0	54	0.0	-81.82	428.29	8.43	-73.39
CC(=NNC(=O)C(C)C[NH+]1CC(C)OC(C)C1)C1=CC=CC(OCC(=O)[O-])=C1	REAL300000017846	0	57	0.0	-84.06	435.40	8.95	-75.11
CC(C[NH+]1CC(C)OC(C)C1)C(=O)NN=CC1=CC=CC=C1C(=O)[O-]	REAL300000017847	0	50	0.0	-83.84	388.47	8.38	-75.46
CC(=NNC(=O)C(C)C[NH+]1CC(C)OC(C)C1)C1=CC=C(C(=O)[O-])C=C1	REAL300000017848	0	53	0.0	-82.69	404.07	8.63	-74.06
CC(=NNC(=O)C(C)C[NH+]1CC(C)OC(C)C1)C1=CC=C(CC(=O)[O-])C=C1	REAL300000017849	0	56	0.0	-79.67	433.24	9.49	-70.18
CC1=C(C(=O)[O-])OC2=C1C(=NNC(=O)C(C)C[NH+]1CC(C)OC(C)C1)CCC2	REAL300000017850	0	57	0.0	-87.90	434.00	9.01	-78.89
CC(C[NH+]1CC(C)OC(C)C1)C(=O)NN=CC1=CC=C(OCCC(=O)[O-])C=C1	REAL300000017851	0	57	0.0	-79.76	449.24	8.56	-71.20
CC(C[NH+]1CC(C)OC(C)C1)C(=O)NN=CC1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000017852	0	57	0.0	-76.97	439.26	8.96	-68.01
CC(C[NH+]1CC(C)OC(C)C1)C(=O)NN=CC1=CC=CC(OCCC(=O)[O-])=C1	REAL300000017853	0	57	0.0	-75.79	442.51	8.50	-67.29
CC(C[NH+]1CC(C)OC(C)C1)C(=O)NN=CC1=CC=CC(OCC(=O)[O-])=C1	REAL300000017854	0	54	0.0	-76.49	421.57	8.38	-68.11
CC(C[NH+]1CC(C)OC(C)C1)C(=O)NN=CC1=CC=C(C(=O)[O-])N1	REAL300000017855	0	48	0.0	-78.09	377.50	5.69	-72.40
CCC(=NNC(=O)C(C)C[NH+]1CC(C)OC(C)C1)C1=CC=C(C(=O)[O-])C=C1	REAL300000017856	0	56	0.0	-81.95	425.54	9.34	-72.61
CC(=NNC(=O)C(C)C[NH+]1CC(C)OC(C)C1)C1=CC=CC=C1C(=O)[O-]	REAL300000017857	0	53	0.0	-69.28	401.58	8.37	-60.91
CC(=NNC(=O)C(C)C[NH+]1CC(C)OC(C)C1)C1=CC(C(=O)[O-])=CC=C1O	REAL300000017858	0	54	0.0	-75.83	412.97	6.17	-69.66
CCC(=NNC(=O)C(C)C[NH+]1CC(C)OC(C)C1)C1=CC(C(=O)[O-])=CC=C1F	REAL300000017859	0	56	0.0	-73.40	430.19	9.53	-63.87
CC(C[NH+]1CC(C)OC(C)C1)C(=O)NN=CC1=C2C=CC(C(=O)[O-])=CC2=NN1	REAL300000017860	0	53	0.0	-90.36	415.26	6.79	-83.57
CC(C[NH+]1CC(C)OC(C)C1)C(=O)NN=CC1=NNC2=CC(C(=O)[O-])=CC=C12	REAL300000017860	1	53	0.0	-82.93	418.60	6.61	-76.32
CC(=NNC(=O)C(C)C[NH+]1CC(C)OC(C)C1)C1=CC=CC(C(=O)[O-])=C1	REAL300000017861	0	53	0.0	-89.24	411.06	8.70	-80.54
CC(C[NH+]1CC(C)OC(C)C1)C(=O)NN=CC1=CN(CC(=O)[O-])N=N1	REAL300000017862	0	49	0.0	-84.25	388.32	4.85	-79.40
CC(=NNC(=O)C(C)C[NH+]1CC(C)OC(C)C1)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000017863	0	53	0.0	-84.48	408.68	8.69	-75.79
CC(C[NH+]1CC(C)OC(C)C1)C(=O)NN=CC1=CC(C(=O)[O-])=CS1	REAL300000017864	0	47	0.0	-77.66	382.17	7.13	-70.53
CC(C[NH+]1CC(C)OC(C)C1)C(=O)NN=CC1=CC=C(C(=O)[O-])C=C1Cl	REAL300000017865	0	50	0.0	-82.14	409.27	8.82	-73.32
CC(=NNC(=O)C(C)C[NH+]1CC(C)OC(C)C1)C1=CC(C(=O)[O-])=C(C)N=C1C	REAL300000017866	0	58	0.0	-79.68	436.17	7.78	-71.90
CC(C[NH+]1CC(C)OC(C)C1)C(=O)NN=CC1=CC=C(O)C(C(=O)[O-])=C1	REAL300000017867	0	51	0.0	-77.90	399.30	6.15	-71.75
CC(=NNC(=O)C(C)C[NH+]1CC(C)OC(C)C1)C1=CC(C(=O)[O-])=CC=C1C	REAL300000017868	0	56	0.0	-85.00	426.47	9.14	-75.86
CC(=NNC(=O)C(C)C[NH+]1CC(C)OC(C)C1)C1=CC=C(C(=O)[O-])O1	REAL300000017869	0	50	0.0	-78.13	390.57	7.30	-70.83
CC(C[NH+]1CC(C)OC(C)C1)C(=O)NN=CC1=CC=C(OC(C)C(=O)[O-])C=C1	REAL300000017870	0	57	0.0	-82.37	446.63	9.04	-73.33
CC(C[NH+]1CC(C)OC(C)C1)C(=O)NN=C1CCC(C(=O)[O-])C2=CC=CC=C21	REAL300000017871	0	57	0.0	-76.96	426.39	9.74	-67.22
CC1=C(C(=O)[O-])C=C(C=NNC(=O)C(C)C[NH+]2CC(C)OC(C)C2)N1	REAL300000017872	0	51	0.0	-88.67	395.74	6.34	-82.33
CC(C[NH+]1CC(C)OC(C)C1)C(=O)NN=C1CC(C(=O)[O-])C1	REAL300000017873	0	47	0.0	-69.26	365.95	6.50	-62.76
CC(C[NH+]1CC(C)OC(C)C1)C(=O)NN=CC1=CC=CC(C(=O)[O-])=C1	REAL300000017874	0	50	0.0	-77.48	397.23	8.13	-69.35
CC(=NNC(=O)C(C)C[NH+]1CC(C)OC(C)C1)C1=CSC(C(=O)[O-])=C1	REAL300000017875	0	50	0.0	-85.20	403.66	7.79	-77.41
CC(C[NH+]1CC(C)OC(C)C1)C(=O)NN=C1CC(C(=O)[O-])(C2=CC=CC=C2)C1	REAL300000017876	0	57	0.0	-66.96	432.62	9.77	-57.19
CC(=NNC(=O)C(C)C[NH+]1CC(C)OC(C)C1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	REAL300000017877	0	62	0.0	-75.25	447.00	9.88	-65.37
CC(CCCCCCC(=O)[O-])=NNC(=O)C(C)C[NH+]1CC(C)OC(C)C1	REAL300000017878	0	61	0.0	-79.17	461.37	9.69	-69.48
CC(C[NH+]1CC(C)OC(C)C1)C(=O)NN=C1CCC(CC(=O)[O-])C1C	REAL300000017879	0	56	0.0	-71.63	413.64	8.20	-63.43
CC(=NNC(=O)C(C)C[NH+]1CC(C)OC(C)C1)C1=CC(C(=O)[O-])=CS1	REAL300000017880	0	50	0.0	-85.43	397.77	7.79	-77.64
CC(C[NH+]1CC(C)OC(C)C1)C(=O)NN=C1CCC(C(=O)[O-])C(C)(C)C1C	REAL300000017881	0	62	0.0	-70.16	429.55	8.52	-61.64
CC(C[NH+]1CC(C)OC(C)C1)C(=O)NN=C1CCC(C(=O)[O-])CC1C	REAL300000017882	0	56	0.0	-72.22	409.98	8.32	-63.90
CC(C[NH+]1CC(C)OC(C)C1)C(=O)NN=C1CCC(C(=O)[O-])C(C)C1	REAL300000017883	0	56	0.0	-74.23	408.63	8.13	-66.10
CC(C[NH+]1CC(C)OC(C)C1)C(=O)NN=C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300000017884	0	57	0.0	-85.31	434.19	9.80	-75.51
CC(C[NH+]1CC(C)OC(C)C1)C(=O)NN=CC1=CNC(C(=O)[O-])=C1	REAL300000017885	0	48	0.0	-75.06	378.14	5.88	-69.18
CC(CC1(C(=O)[O-])CCC1)=NNC(=O)C(C)C[NH+]1CC(C)OC(C)C1	REAL300000017886	0	56	0.0	-77.07	411.30	8.19	-68.88
CC1=CC(C)=C(C(=O)[O-])C=C1C=NNC(=O)C(C)C[NH+]1CC(C)OC(C)C1	REAL300000017887	0	56	0.0	-77.52	426.47	9.68	-67.84
CC(C[NH+]1CC(C)OC(C)C1)C(=O)NN=CC1=CC=CC(C(=O)[O-])=C1Cl	REAL300000017888	0	50	0.0	-84.83	398.48	8.69	-76.14
CC(C[NH+]1CC(C)OC(C)C1)C(=O)NN=CC1=C(C(=O)[O-])C=NN1C	REAL300000017889	0	50	0.0	-82.37	391.94	6.37	-76.00
CC(C[NH+]1CC(C)OC(C)C1)C(=O)NN=CC1=CC=C(C(=O)[O-])C(F)=C1	REAL300000017890	0	50	0.0	-85.36	394.88	8.12	-77.24
CC(C[NH+]1CC(C)OC(C)C1)C(=O)NN=CC1=CC=C(C=CC(=O)[O-])O1	REAL300000017891	0	51	0.0	-91.24	408.85	6.03	-85.21
CC(C[NH+]1CC(C)OC(C)C1)C(=O)NN=C1CCC2=CC=CC(C(=O)[O-])=C21	REAL300000017892	0	54	0.0	-86.53	413.77	9.43	-77.10
CC(=NNC(=O)C(C)C[NH+]1CC(C)OC(C)C1)C1=CN=CC(C(=O)[O-])=C1	REAL300000017893	0	52	0.0	-83.54	406.23	6.90	-76.64
CC(C[NH+]1CC(C)OC(C)C1)C(=O)NN=CC1=CNC2=CC=C(C(=O)[O-])C=C12	REAL300000017894	0	54	0.0	-93.59	421.13	8.16	-85.43
CC(C[NH+]1CC(C)OC(C)C1)C(=O)NN=CC1=CC=C(C(=O)[O-])N=C1	REAL300000017895	0	49	0.0	-86.90	386.19	6.32	-80.58
CC(C[NH+]1CC(C)OC(C)C1)C(=O)NN=CC1=CC=C(C(=O)[O-])C(O)=C1	REAL300000017896	0	51	0.0	-84.63	399.16	6.14	-78.49
CC1=CC=C(C=NNC(=O)C(C)C[NH+]2CC(C)OC(C)C2)C=C1C(=O)[O-]	REAL300000017897	0	53	0.0	-75.18	406.49	8.63	-66.55
CC(C[NH+]1CC(C)OC(C)C1)C(=O)NN=CC1=CC(C(=O)[O-])=C(Cl)S1	REAL300000017898	0	47	0.0	-76.70	395.83	7.65	-69.05
CC(=NNC(=O)C(C)C[NH+]1CC(C)OC(C)C1)C1=CC=C(C(=O)[O-])C=C1C	REAL300000017899	0	56	0.0	-83.72	424.86	9.07	-74.65
CC(C[NH+]1CC(C)OC(C)C1)C(=O)NN=CC1=CC(Cl)=NC=C1C(=O)[O-]	REAL300000017900	0	49	0.0	-59.95	396.89	6.54	-53.41
CC(C[NH+]1CC(C)OC(C)C1)C(=O)NN=CC1=CC(C(=O)[O-])=NN1C	REAL300000017901	0	50	0.0	-93.09	400.36	5.76	-87.33
CC(C[NH+]1CC(C)OC(C)C1)C(=O)NN=CC1=CC(C(=O)[O-])=CN1C	REAL300000017902	0	51	0.0	-91.07	398.44	7.51	-83.56
CC(C[NH+]1CC(C)OC(C)C1)C(=O)NN=CC1=CC(C(=O)[O-])=CC=C1N(C)C	REAL300000017903	0	58	0.0	-74.83	442.34	8.95	-65.88
CC1=C(C(=O)[O-])C=C(C=NNC(=O)C(C)C[NH+]2CC(C)OC(C)C2)O1	REAL300000017904	0	50	0.0	-78.72	392.22	6.89	-71.83
CCC1=CC(C(=O)[O-])=C(C=NNC(=O)C(C)C[NH+]2CC(C)OC(C)C2)S1	REAL300000017905	0	53	0.0	-67.49	421.12	8.54	-58.95
COC1=CC=C(C(=O)[O-])C=C1C=NNC(=O)C(C)C[NH+]1CC(C)OC(C)C1	REAL300000017906	0	54	0.0	-76.50	417.57	7.75	-68.75
CC(C[NH+]1CC(C)OC(C)C1)C(=O)NN=C1CCCC2=NC=C(C(=O)[O-])C=C12	REAL300000017907	0	56	0.0	-83.99	423.45	8.01	-75.98
CC(C[NH+]1CC(C)OC(C)C1)C(=O)NN=CC1=CC(C(=O)[O-])=CO1	REAL300000017908	0	47	0.0	-78.72	374.25	6.18	-72.54
CC1=CC=C(C=NNC(=O)C(C)C[NH+]2CC(C)OC(C)C2)C(C(=O)[O-])=C1	REAL300000017909	0	53	0.0	-66.25	406.10	8.52	-57.73
COC1=CC(C=NNC(=O)C(C)C[NH+]2CC(C)OC(C)C2)=CC=C1C(=O)[O-]	REAL300000017910	0	54	0.0	-89.61	417.64	8.16	-81.45
CC(C[NH+]1CC(C)OC(C)C1)C(=O)NN=CC1=C(F)C=C(C(=O)[O-])C=C1F	REAL300000017911	0	50	0.0	-74.77	407.04	8.31	-66.46
CC1=C(C(=O)[O-])NC(C=NNC(=O)C(C)C[NH+]2CC(C)OC(C)C2)=C1	REAL300000017912	0	51	0.0	-82.64	395.54	6.25	-76.39
CC(C[NH+]1CC(C)OC(C)C1)C(=O)NN=CC1=C(C(=O)[O-])C=C(Cl)S1	REAL300000017913	0	47	0.0	-63.91	394.79	7.59	-56.32
CC(C[NH+]1CC(C)OC(C)C1)C(=O)NN=CC1=C(C(=O)[O-])C=CS1	REAL300000017914	0	47	0.0	-66.94	377.77	6.97	-59.97
CC(C[NH+]1CC(C)OC(C)C1)C(=O)NN=CC1=CSC(C(=O)[O-])=C1	REAL300000017915	0	47	0.0	-75.27	382.30	7.17	-68.10
COC1=CC=C(C)C(C=NNC(=O)C(C)C[NH+]2CC(C)OC(C)C2)=C1C(=O)[O-]	REAL300000017916	0	57	0.0	-71.73	434.19	8.88	-62.85
CC(C[NH+]1CC(C)OC(C)C1)C(=O)NN=CC1=CC=C(CCC(=O)[O-])O1	REAL300000017917	0	53	0.0	-82.21	423.07	7.88	-74.33
CC(C[NH+]1CC(C)OC(C)C1)C(=O)NN=CC1=CNC2=C(C(=O)[O-])C=CC=C12	REAL300000017918	0	54	0.0	-82.61	418.82	8.29	-74.32
CC(C[NH+]1CC(C)OC(C)C1)C(=O)NN=CC1=CC=C2OC(C(=O)[O-])=CC2=C1	REAL300000017919	0	53	0.0	-82.83	419.79	8.84	-73.99
CC(C[NH+]1CC(C)OC(C)C1)C(=O)NN=CC1=CC=CN2C(C(=O)[O-])=CN=C12	REAL300000017920	0	53	0.0	-78.79	415.36	8.40	-70.39
CC(C[NH+]1CC(C)OC(C)C1)C(=O)NN=CC1=CC=CC(F)=C1C(=O)[O-]	REAL300000017921	0	50	0.0	-69.06	389.24	7.90	-61.16
CC(C[NH+]1CC(C)OC(C)C1)C(=O)NN=CC1=C(C(=O)[O-])C=CC2=C1OCO2	REAL300000017922	0	53	0.0	-76.94	414.48	7.05	-69.89
CC(C[NH+]1CC(C)OC(C)C1)C(=O)NN=CC1=CC(C#N)=CC=C1C(=O)[O-]	REAL300000017923	0	51	0.0	-60.20	405.47	8.23	-51.97
CC1=NSC(C=NNC(=O)C(C)C[NH+]2CC(C)OC(C)C2)=C1C(=O)[O-]	REAL300000017924	0	49	0.0	-63.74	396.14	6.23	-57.51
COC1=CC(C(=O)[O-])=CC=C1C=NNC(=O)C(C)C[NH+]1CC(C)OC(C)C1	REAL300000017925	0	54	0.0	-82.44	417.52	7.73	-74.71
CC(C[NH+]1CC(C)OC(C)C1)C(=O)NN=CC1=NN([C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300000017926	0	57	0.0	-74.02	437.83	7.73	-66.29
CC(C[NH+]1CCCCCC1)C(=O)NN=CC1=CC=C(C(=O)[O-])C=C1	REAL300000017927	0	49	0.0	-82.65	372.59	9.23	-73.42
CC(C[NH+]1CCCCCC1)C(=O)NN=CC1=CC=CC=C1OCC(=O)[O-]	REAL300000017928	0	53	0.0	-76.18	398.36	10.39	-65.79
COC1=CC(C=NNC(=O)C(C)C[NH+]2CCCCCC2)=CC=C1OCC(=O)[O-]	REAL300000017929	0	57	0.0	-85.65	433.06	9.30	-76.35
CC(C[NH+]1CCCCCC1)C(=O)NN=CC1=CC=C(OCC(=O)[O-])C=C1	REAL300000017930	0	53	0.0	-80.15	403.86	9.55	-70.60
CC(=NNC(=O)C(C)C[NH+]1CCCCCC1)C1=CC=CC(OCC(=O)[O-])=C1	REAL300000017931	0	56	0.0	-84.29	418.41	10.09	-74.20
CC(C[NH+]1CCCCCC1)C(=O)NN=CC1=CC=CC=C1C(=O)[O-]	REAL300000017932	0	49	0.0	-85.21	371.49	9.51	-75.70
CC(=NNC(=O)C(C)C[NH+]1CCCCCC1)C1=CC=C(C(=O)[O-])C=C1	REAL300000017933	0	52	0.0	-82.47	387.08	9.77	-72.70
CC(=NNC(=O)C(C)C[NH+]1CCCCCC1)C1=CC=C(CC(=O)[O-])C=C1	REAL300000017934	0	55	0.0	-78.15	408.80	10.62	-67.53
CC1=C(C(=O)[O-])OC2=C1C(=NNC(=O)C(C)C[NH+]1CCCCCC1)CCC2	REAL300000017935	0	56	0.0	-86.79	410.35	10.13	-76.66
CC(C[NH+]1CCCCCC1)C(=O)NN=CC1=CC=C(OCCC(=O)[O-])C=C1	REAL300000017936	0	56	0.0	-78.12	424.80	9.68	-68.44
CC(C[NH+]1CCCCCC1)C(=O)NN=CC1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000017937	0	56	0.0	-76.58	422.45	10.11	-66.47
CC(C[NH+]1CCCCCC1)C(=O)NN=CC1=CC=CC(OCCC(=O)[O-])=C1	REAL300000017938	0	56	0.0	-75.23	425.54	9.64	-65.59
CC(C[NH+]1CCCCCC1)C(=O)NN=CC1=CC=CC(OCC(=O)[O-])=C1	REAL300000017939	0	53	0.0	-76.04	404.59	9.52	-66.52
COC1=CC=C(C=NNC(=O)C(C)C[NH+]2CCCCCC2)C(OCC(=O)[O-])=C1	REAL300000017940	0	57	0.0	-63.62	427.01	9.75	-53.87
CC(C[NH+]1CCCCCC1)C(=O)NN=CC1=CC=C(OC(F)(F)C(=O)[O-])C=C1	REAL300000017941	0	53	0.0	-77.81	413.18	9.09	-68.72
CC(C[NH+]1CCCCCC1)C(=O)NN=CC1=CC=C(C(=O)[O-])N1	REAL300000017942	0	47	0.0	-77.80	360.59	6.85	-70.95
CCC(=NNC(=O)C(C)C[NH+]1CCCCCC1)C1=CC=C(C(=O)[O-])C=C1	REAL300000017943	0	55	0.0	-81.76	408.56	10.48	-71.28
CC(=NNC(=O)C(C)C[NH+]1CCCCCC1)C1=CC=CC=C1C(=O)[O-]	REAL300000017944	0	52	0.0	-87.44	385.18	10.06	-77.38
CC(=NNC(=O)C(C)C[NH+]1CCCCCC1)C1=CC(C(=O)[O-])=CC=C1O	REAL300000017945	0	53	0.0	-75.54	395.99	7.31	-68.23
CCC(=NNC(=O)C(C)C[NH+]1CCCCCC1)C1=CC(C(=O)[O-])=CC=C1F	REAL300000017946	0	55	0.0	-73.27	412.82	10.68	-62.59
CC(C[NH+]1CCCCCC1)C(=O)NN=CC1=C2C=CC(C(=O)[O-])=CC2=NN1	REAL300000017947	0	52	0.0	-90.20	398.28	7.93	-82.27
CC(C[NH+]1CCCCCC1)C(=O)NN=CC1=NNC2=CC(C(=O)[O-])=CC=C12	REAL300000017947	1	52	0.0	-82.49	401.61	7.75	-74.74
CC(=NNC(=O)C(C)C[NH+]1CCCCCC1)C1=CC=CC(C(=O)[O-])=C1	REAL300000017948	0	52	0.0	-88.49	387.33	9.81	-78.68
CC(C[NH+]1CCCCCC1)C(=O)NN=CC1=CN(CC(=O)[O-])N=N1	REAL300000017949	0	48	0.0	-84.44	371.34	5.99	-78.45
CC(=NNC(=O)C(C)C[NH+]1CCCCCC1)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000017950	0	52	0.0	-84.20	391.70	9.83	-74.37
CC(C[NH+]1CCCCCC1)C(=O)NN=CC1=CC(C(=O)[O-])=CS1	REAL300000017951	0	46	0.0	-77.36	365.19	8.26	-69.10
CC(C[NH+]1CCCCCC1)C(=O)NN=CC1=CC=C(C(=O)[O-])C=C1Cl	REAL300000017952	0	49	0.0	-72.16	384.85	10.03	-62.13
CC(=NNC(=O)C(C)C[NH+]1CCCCCC1)C1=CC(C(=O)[O-])=C(C)N=C1C	REAL300000017953	0	57	0.0	-80.13	419.36	8.94	-71.19
CC(C[NH+]1CCCCCC1)C(=O)NN=CC1=CC=C(O)C(C(=O)[O-])=C1	REAL300000017954	0	50	0.0	-77.52	382.31	7.29	-70.23
CC(=NNC(=O)C(C)C[NH+]1CCCCCC1)C1=CC(C(=O)[O-])=CC=C1C	REAL300000017955	0	55	0.0	-85.10	408.07	10.23	-74.87
CC(=NNC(=O)C(C)C[NH+]1CCCCCC1)C1=CC=C(C(=O)[O-])O1	REAL300000017956	0	49	0.0	-77.79	373.59	8.43	-69.36
CC(C[NH+]1CCCCCC1)C(=O)NN=CC1=CC=C(OC(C)C(=O)[O-])C=C1	REAL300000017957	0	56	0.0	-80.81	421.88	10.16	-70.65
CC(C[NH+]1CCCCCC1)C(=O)NN=C1CCC(C(=O)[O-])C2=CC=CC=C21	REAL300000017958	0	56	0.0	-76.78	409.41	10.88	-65.90
CC(C[NH+]1CCCCCC1)C(=O)NN=CC1=CN(CC(=O)[O-])C2=CC=CC=C12	REAL300000017959	0	56	0.0	-75.67	428.15	11.53	-64.14
CC1=C(C(=O)[O-])C=C(C=NNC(=O)C(C)C[NH+]2CCCCCC2)N1	REAL300000017960	0	50	0.0	-78.44	378.07	7.59	-70.85
CC(C[NH+]1CCCCCC1)C(=O)NN=CC1=CC=CC(C(=O)[O-])=C1	REAL300000017961	0	49	0.0	-76.13	373.59	9.25	-66.88
CC(=NNC(=O)C(C)C[NH+]1CCCCCC1)C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000017962	0	59	0.0	-84.96	436.11	10.68	-74.28
CC(=NNC(=O)C(C)C[NH+]1CCCCCC1)C1=CSC(C(=O)[O-])=C1	REAL300000017963	0	49	0.0	-83.91	379.22	8.92	-74.99
CC(C[NH+]1CCCCCC1)C(=O)NN=C1CC(C(=O)[O-])(C2=CC=CC=C2)C1	REAL300000017964	0	56	0.0	-71.96	415.89	10.79	-61.17
CC(=NNC(=O)C(C)C[NH+]1CCCCCC1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	REAL300000017965	0	61	0.0	-74.94	429.56	11.07	-63.87
CC(CCCCCCC(=O)[O-])=NNC(=O)C(C)C[NH+]1CCCCCC1	REAL300000017966	0	60	0.0	-77.86	437.74	10.81	-67.05
CC(C[NH+]1CCCCCC1)C(=O)NN=C1CCC(CC(=O)[O-])C1C	REAL300000017967	0	55	0.0	-71.34	396.72	9.36	-61.98
CC(=NNC(=O)C(C)C[NH+]1CCCCCC1)C1=CC(C(=O)[O-])=CS1	REAL300000017968	0	49	0.0	-85.69	380.79	8.93	-76.76
CC(C[NH+]1CCCCCC1)C(=O)NN=C1CCC(C(=O)[O-])C(C)(C)C1C	REAL300000017969	0	61	0.0	-70.02	412.65	9.68	-60.34
CC(C[NH+]1CCCCCC1)C(=O)NN=C1CCC(C(=O)[O-])CC1C	REAL300000017970	0	55	0.0	-73.20	389.94	9.18	-64.02
CC(C[NH+]1CCCCCC1)C(=O)NN=C1CCC(C(=O)[O-])C(C)C1	REAL300000017971	0	55	0.0	-71.55	384.72	9.00	-62.55
CC(C[NH+]1CCCCCC1)C(=O)NN=C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300000017972	0	56	0.0	-75.04	409.79	11.03	-64.01
CC(C[NH+]1CCCCCC1)C(=O)NN=CC1=CNC(C(=O)[O-])=C1	REAL300000017973	0	47	0.0	-74.44	360.45	7.04	-67.40
CC(CC1(C(=O)[O-])CCC1)=NNC(=O)C(C)C[NH+]1CCCCCC1	REAL300000017974	0	55	0.0	-78.26	394.32	9.32	-68.94
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CC(C[NH+]1CCCCCC1)C(=O)NN=C1CCC2=CC=CC(C(=O)[O-])=C21	REAL300000017981	0	53	0.0	-86.37	390.11	10.55	-75.82
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CC(C[NH+]1CCCCCC1)C(=O)NN=CC1=CNC2=CC=C(C(=O)[O-])C=C12	REAL300000017983	0	53	0.0	-94.68	404.22	9.32	-85.36
CC(C[NH+]1CCCCCC1)C(=O)NN=CC1=CC=C(C(=O)[O-])N=C1	REAL300000017984	0	48	0.0	-86.36	368.51	7.49	-78.87
CC(C[NH+]1CCCCCC1)C(=O)NN=CC1=CC=C(C(=O)[O-])C(O)=C1	REAL300000017985	0	50	0.0	-84.06	381.48	7.31	-76.75
CC1=CC=C(C=NNC(=O)C(C)C[NH+]2CCCCCC2)C=C1C(=O)[O-]	REAL300000017986	0	52	0.0	-74.81	389.51	9.77	-65.04
CC(C[NH+]1CCCCCC1)C(=O)NN=CC1=CC(C(=O)[O-])=C(Cl)S1	REAL300000017987	0	46	0.0	-76.28	378.85	8.79	-67.49
CC(=NNC(=O)C(C)C[NH+]1CCCCCC1)C1=CC=C(C(=O)[O-])C=C1C	REAL300000017988	0	55	0.0	-74.77	406.98	10.30	-64.47
CC(C[NH+]1CCCCCC1)C(=O)NN=CC1=CC(Cl)=NC=C1C(=O)[O-]	REAL300000017989	0	48	0.0	-59.79	379.91	7.68	-52.11
CC(C[NH+]1CCCCCC1)C(=O)NN=CC1=CC(C(=O)[O-])=NN1C	REAL300000017990	0	49	0.0	-91.94	376.62	6.85	-85.09
CC(C[NH+]1CCCCCC1)C(=O)NN=CC1=CC(C(=O)[O-])=CN1C	REAL300000017991	0	50	0.0	-91.24	381.48	8.65	-82.59
CC(C[NH+]1CCCCCC1)C(=O)NN=CC1=CC(C(=O)[O-])=CC=C1N(C)C	REAL300000017992	0	57	0.0	-74.40	425.36	10.09	-64.31
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COC1=CC=C(C(=O)[O-])C=C1C=NNC(=O)C(C)C[NH+]1CCCCCC1	REAL300000017995	0	53	0.0	-76.12	400.58	8.89	-67.23
CC(C[NH+]1CCCCCC1)C(=O)NN=CC1=CSC2=CC=C(C(=O)[O-])C=C12	REAL300000017996	0	52	0.0	-85.61	407.06	10.68	-74.93
CC(C[NH+]1CCCCCC1)C(=O)NN=C1CCCC2=NC=C(C(=O)[O-])C=C12	REAL300000017997	0	55	0.0	-84.62	406.22	9.16	-75.46
CC(C[NH+]1CCCCCC1)C(=O)NN=CC1=CC(C(=O)[O-])=CO1	REAL300000017998	0	46	0.0	-78.49	357.27	7.31	-71.18
CC1=CC=C(C=NNC(=O)C(C)C[NH+]2CCCCCC2)C(C(=O)[O-])=C1	REAL300000017999	0	52	0.0	-66.22	389.12	9.66	-56.56
COC1=CC(C=NNC(=O)C(C)C[NH+]2CCCCCC2)=CC=C1C(=O)[O-]	REAL300000018000	0	53	0.0	-89.33	400.67	9.30	-80.03
CC(C[NH+]1CCCCCC1)C(=O)NN=CC1=C(F)C=C(C(=O)[O-])C=C1F	REAL300000018001	0	49	0.0	-73.20	382.61	9.44	-63.76
CC1=C(C(=O)[O-])NC(C=NNC(=O)C(C)C[NH+]2CCCCCC2)=C1	REAL300000018002	0	50	0.0	-72.84	377.87	7.52	-65.32
CC(C[NH+]1CCCCCC1)C(=O)NN=CC1=C(O)C(C(=O)[O-])=CC2=CC=CC=C21	REAL300000018003	0	56	0.0	-87.12	422.88	9.69	-77.43
CC(C[NH+]1CCCCCC1)C(=O)NN=CC1=C(C(=O)[O-])C=C(Cl)S1	REAL300000018004	0	46	0.0	-63.74	377.81	8.73	-55.01
CC(C[NH+]1CCCCCC1)C(=O)NN=CC1=C(C(=O)[O-])C=CS1	REAL300000018005	0	46	0.0	-66.89	360.79	8.10	-58.79
CC(C[NH+]1CCCCCC1)C(=O)NN=CC1=CSC(C(=O)[O-])=C1	REAL300000018006	0	46	0.0	-74.95	365.32	8.29	-66.66
COC1=CC=C(C)C(C=NNC(=O)C(C)C[NH+]2CCCCCC2)=C1C(=O)[O-]	REAL300000018007	0	56	0.0	-70.55	409.69	10.05	-60.50
CC(C[NH+]1CCCCCC1)C(=O)NN=CC1=CC=C(CCC(=O)[O-])O1	REAL300000018008	0	52	0.0	-71.32	398.65	9.08	-62.24
CC(C[NH+]1CCCCCC1)C(=O)NN=CC1=CNC2=C(C(=O)[O-])C=CC=C12	REAL300000018009	0	53	0.0	-82.46	401.84	9.42	-73.04
CC(=NNC(=O)C(C)C[NH+]1CCCCCC1)C1=C(C(=O)[O-])C2=CC=CC=C2N=C1	REAL300000018010	0	57	0.0	-87.47	425.22	10.42	-77.05
CC(C[NH+]1CCCCCC1)C(=O)NN=CC1=CC=C2OC(C(=O)[O-])=CC2=C1	REAL300000018011	0	52	0.0	-74.73	402.11	10.08	-64.65
CC(C[NH+]1CCCCCC1)C(=O)NN=CC1=CC=CN2C(C(=O)[O-])=CN=C12	REAL300000018012	0	52	0.0	-71.57	397.68	9.64	-61.93
CC(C[NH+]1CCCCCC1)C(=O)NN=CC1=CC=CC(F)=C1C(=O)[O-]	REAL300000018013	0	49	0.0	-68.95	372.27	9.03	-59.92
CC(C[NH+]1CCCCCC1)C(=O)NN=CC1=C(C(=O)[O-])C=CC2=C1OCO2	REAL300000018014	0	52	0.0	-78.20	397.51	8.19	-70.01
CC(C[NH+]1CCCCCC1)C(=O)NN=CC1=CC(C#N)=CC=C1C(=O)[O-]	REAL300000018015	0	50	0.0	-60.11	388.49	9.37	-50.74
CC(C[NH+]1CCCCCC1)C(=O)NN=CC1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000018016	0	53	0.0	-82.31	419.86	10.07	-72.24
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CC1CC[NH+](CCC(=O)NN=CC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300000020067	0	46	0.0	-83.91	367.69	8.93	-74.98
CC1CC[NH+](CCC(=O)NN=CC2=CC=CC=C2OCC(=O)[O-])CC1	REAL300000020068	0	50	0.0	-75.34	392.75	10.11	-65.23
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CC1CC[NH+](CCC(=O)NN=CC2=CC=C(OCC(=O)[O-])C=C2)CC1	REAL300000020071	0	50	0.0	-81.36	398.95	9.25	-72.11
CC(=NNC(=O)CC[NH+]1CCC(C)CC1)C1=CC=CC(OCC(=O)[O-])=C1	REAL300000020072	0	53	0.0	-84.59	412.81	9.82	-74.77
CC1CC[NH+](CCC(=O)NN=CC2=CC=CC=C2C(=O)[O-])CC1	REAL300000020073	0	46	0.0	-84.61	365.88	9.23	-75.38
CC(=NNC(=O)CC[NH+]1CCC(C)CC1)C1=CC=C(C(=O)[O-])C=C1	REAL300000020074	0	49	0.0	-83.31	381.47	9.50	-73.81
CC(=NNC(=O)CC[NH+]1CCC(C)CC1)C1=CC=C(CC(=O)[O-])C=C1	REAL300000020075	0	52	0.0	-79.15	403.91	10.32	-68.83
CC1=C(C(=O)[O-])OC2=C1C(=NNC(=O)CC[NH+]1CCC(C)CC1)CCC2	REAL300000020076	0	53	0.0	-87.44	404.67	9.84	-77.60
CC1CC[NH+](CCC(=O)NN=CC2=CC=C(OCCC(=O)[O-])C=C2)CC1	REAL300000020077	0	53	0.0	-79.23	419.90	9.37	-69.86
CC(OC1=CC(C=NNC(=O)CC[NH+]2CCC(C)CC2)=CC=C1)C(=O)[O-]	REAL300000020078	0	53	0.0	-77.66	416.85	9.83	-67.83
CC1CC[NH+](CCC(=O)NN=CC2=CC=CC(OCCC(=O)[O-])=C2)CC1	REAL300000020079	0	53	0.0	-76.32	419.93	9.36	-66.96
CC1CC[NH+](CCC(=O)NN=CC2=CC=C(OCC(=O)[O-])C([N+](=O)[O-])=C2)CC1	REAL300000020080	0	52	0.0	-90.33	424.93	10.40	-79.93
CC1CC[NH+](CCC(=O)NN=CC2=CC=CC(OCC(=O)[O-])=C2)CC1	REAL300000020081	0	50	0.0	-77.11	398.98	9.24	-67.87
COC1=CC=C(C=NNC(=O)CC[NH+]2CCC(C)CC2)C(OCC(=O)[O-])=C1	REAL300000020082	0	54	0.0	-77.92	422.11	9.43	-68.49
CC1CC[NH+](CCC(=O)NN=CC2=CC=C(OC(F)(F)C(=O)[O-])C=C2)CC1	REAL300000020083	0	50	0.0	-78.53	408.22	9.41	-69.12
CC1CC[NH+](CCC(=O)NN=CC2=C(Br)C=C(C(=O)[O-])N2C)CC1	REAL300000020084	0	47	0.0	-79.03	389.15	8.83	-70.20
COC1=C2OC(C(=O)[O-])=CC2=C(C=NNC(=O)CC[NH+]2CCC(C)CC2)C=C1	REAL300000020085	0	53	0.0	-92.55	423.53	9.05	-83.50
CC1CC[NH+](CCC(=O)NN=CC2=CC=C(C(=O)[O-])N2)CC1	REAL300000020086	0	44	0.0	-78.88	354.92	6.55	-72.33
CCC(=NNC(=O)CC[NH+]1CCC(C)CC1)C1=CC=C(C(=O)[O-])C=C1	REAL300000020087	0	52	0.0	-82.55	402.96	10.21	-72.34
CC(=NNC(=O)CC[NH+]1CCC(C)CC1)C1=CC=CC=C1C(=O)[O-]	REAL300000020088	0	49	0.0	-69.96	378.99	9.24	-60.72
CC(=NNC(=O)CC[NH+]1CCC(C)CC1)C1=CC(C(=O)[O-])=CC=C1O	REAL300000020089	0	50	0.0	-76.41	390.38	7.04	-69.37
CCC(=NNC(=O)CC[NH+]1CCC(C)CC1)C1=CC(C(=O)[O-])=CC=C1F	REAL300000020090	0	52	0.0	-74.10	407.21	10.41	-63.69
CC1CC[NH+](CCC(=O)NN=CC2=C3C=CC(C(=O)[O-])=CC3=NN2)CC1	REAL300000020091	0	49	0.0	-91.20	392.67	7.65	-83.55
CC1CC[NH+](CCC(=O)NN=CC2=NNC3=CC(C(=O)[O-])=CC=C23)CC1	REAL300000020091	1	49	0.0	-83.71	396.01	7.47	-76.24
CC(=NNC(=O)CC[NH+]1CCC(C)CC1)C1=CC=CC(C(=O)[O-])=C1	REAL300000020092	0	49	0.0	-88.80	381.73	9.54	-79.26
CC1CC[NH+](CCC(=O)NN=CC2=CN(CC(=O)[O-])N=N2)CC1	REAL300000020093	0	45	0.0	-85.14	365.73	5.71	-79.43
CC(=NNC(=O)CC[NH+]1CCC(C)CC1)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000020094	0	49	0.0	-85.07	386.09	9.56	-75.51
CC1CC[NH+](CCC(=O)NN=CC2=CC(C(=O)[O-])=CS2)CC1	REAL300000020095	0	43	0.0	-78.39	359.58	7.98	-70.41
COC1=CC(C=NNC(=O)CC[NH+]2CCC(C)CC2)=CC=C1OCCC(=O)[O-]	REAL300000020096	0	57	0.0	-82.38	449.11	9.28	-73.10
CC1CC[NH+](CCC(=O)NN=CC2=CC=C(C(=O)[O-])C=C2Cl)CC1	REAL300000020097	0	46	0.0	-81.68	379.94	9.64	-72.04
CC(=NNC(=O)CC[NH+]1CCC(C)CC1)C1=CC(C(=O)[O-])=C(C)N=C1C	REAL300000020098	0	54	0.0	-80.52	413.61	8.65	-71.87
CC1CC[NH+](CCC(=O)NN=CC2=CC=C(O)C(C(=O)[O-])=C2)CC1	REAL300000020099	0	47	0.0	-78.53	376.71	7.01	-71.52
CC(=NNC(=O)CC[NH+]1CCC(C)CC1)C1=CC(C(=O)[O-])=CC=C1C	REAL300000020100	0	52	0.0	-85.59	402.52	9.96	-75.63
CC(=NNC(=O)CC[NH+]1CCC(C)CC1)C1=CC=C(C(=O)[O-])O1	REAL300000020101	0	46	0.0	-78.92	367.98	8.16	-70.76
CC(OC1=CC=C(C=NNC(=O)CC[NH+]2CCC(C)CC2)C=C1)C(=O)[O-]	REAL300000020102	0	53	0.0	-82.15	416.82	9.84	-72.31
CC1CC[NH+](CCC(=O)NN=C2CCC(C(=O)[O-])C3=CC=CC=C32)CC1	REAL300000020103	0	53	0.0	-73.91	399.71	10.46	-63.45
CC1CC[NH+](CCC(=O)NN=CC2=CN(CC(=O)[O-])C3=CC=CC=C23)CC1	REAL300000020104	0	53	0.0	-76.52	422.54	11.25	-65.27
CC1=C(C(=O)[O-])C=C(C=NNC(=O)CC[NH+]2CCC(C)CC2)N1	REAL300000020105	0	47	0.0	-89.57	373.18	7.20	-82.37
CC1CC[NH+](CCC(=O)NN=CC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300000020106	0	46	0.0	-77.11	367.92	8.95	-68.16
CC(=NNC(=O)CC[NH+]1CCC(C)CC1)C1=CC=CC(OCCCC(=O)[O-])=C1	REAL300000020107	0	59	0.0	-83.33	455.26	10.71	-72.62
CC(CCC1=CC=C(OCC(=O)[O-])C=C1)=NNC(=O)CC[NH+]1CCC(C)CC1	REAL300000020108	0	59	0.0	-83.36	457.89	11.33	-72.03
CC(=NNC(=O)CC[NH+]1CCC(C)CC1)C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000020109	0	56	0.0	-85.35	430.68	10.42	-74.93
CC(=NNC(=O)CC[NH+]1CCC(C)CC1)C1=CSC(C(=O)[O-])=C1	REAL300000020110	0	46	0.0	-84.72	374.33	8.62	-76.10
CC1CC[NH+](CCC(=O)NN=C2CC(C(=O)[O-])(C3=CC=CC=C3)C2)CC1	REAL300000020111	0	53	0.0	-71.06	412.84	10.63	-60.43
CC(=NNC(=O)CC[NH+]1CCC(C)CC1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	REAL300000020112	0	58	0.0	-75.55	425.05	10.78	-64.77
CC(CCCCCCC(=O)[O-])=NNC(=O)CC[NH+]1CCC(C)CC1	REAL300000020113	0	57	0.0	-78.65	432.06	10.51	-68.14
CC1C(=NNC(=O)CC[NH+]2CCC(C)CC2)CCC1CC(=O)[O-]	REAL300000020114	0	52	0.0	-72.16	391.05	9.06	-63.10
CC(=NNC(=O)CC[NH+]1CCC(C)CC1)C1=CC(C(=O)[O-])=CS1	REAL300000020115	0	46	0.0	-86.21	375.18	8.66	-77.55
CC1CC[NH+](CCC(=O)NN=C2CCC(C(=O)[O-])C(C)(C)C2C)CC1	REAL300000020116	0	58	0.0	-70.55	406.96	9.39	-61.16
CC1CC[NH+](CCC(=O)NN=C2CCC(C(=O)[O-])CC2C)CC1	REAL300000020117	0	52	0.0	-72.90	387.39	9.19	-63.71
CC1CC[NH+](CCC(=O)NN=C2CCC(C(=O)[O-])C(C)C2)CC1	REAL300000020118	0	52	0.0	-74.90	386.04	9.01	-65.89
CC1CC[NH+](CCC(=O)NN=C2CC(C(=O)[O-])(C3=CC=CC(Cl)=C3)C2)CC1	REAL300000020119	0	53	0.0	-66.77	423.66	10.95	-55.82
CC1CC[NH+](CCC(=O)NN=C2CCCC3=CC(C(=O)[O-])=CC=C32)CC1	REAL300000020120	0	53	0.0	-84.96	404.88	10.63	-74.33
CC1CC[NH+](CCC(=O)NN=CC2=CNC(C(=O)[O-])=C2)CC1	REAL300000020121	0	44	0.0	-75.65	355.55	6.73	-68.92
CC(CC1(C(=O)[O-])CCC1)=NNC(=O)CC[NH+]1CCC(C)CC1	REAL300000020122	0	52	0.0	-77.62	388.71	9.05	-68.57
CC(=NNC(=O)CC[NH+]1CCC(C)CC1)C1=C(CC(=O)[O-])C2=CC=C(C)C=C2O1	REAL300000020123	0	58	0.0	-82.05	452.88	11.71	-70.34
CC1=CC(C)=C(C(=O)[O-])C=C1C=NNC(=O)CC[NH+]1CCC(C)CC1	REAL300000020124	0	52	0.0	-75.98	399.48	10.42	-65.56
CC1CC[NH+](CCC(=O)NN=CC2=CC=CC(C(=O)[O-])=C2Cl)CC1	REAL300000020125	0	46	0.0	-85.55	375.89	9.55	-76.00
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CC[NH+](CC)CCC(=O)NN=CC1=CSC2=CC=C(C(=O)[O-])C=C12	REAL300000020557	0	45	0.0	-85.85	370.67	9.02	-76.83
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CC[NH+](CC)CCC(=O)NN=CC1=CC=C(C)C=C1C(=O)[O-]	REAL300000020560	0	45	0.0	-65.68	356.48	8.28	-57.40
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CC[NH+](CC)CCC(=O)NN=CC1=CN(C2CCOCC2)N=C1C(=O)[O-]	REAL300000020569	0	53	0.0	-87.49	407.47	6.61	-80.88
CC[NH+](CC)CCC(=O)NN=CC1=C(C)C=CC(OC)=C1C(=O)[O-]	REAL300000020570	0	49	0.0	-70.58	378.33	8.58	-62.00
CC[NH+](CC)CCC(=O)NN=CC1=C(C(=O)[O-])N(C)C2=CC=C(F)C=C21	REAL300000020571	0	49	0.0	-64.15	388.63	8.98	-55.17
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CC[NH+](CC)CCC(=O)NN=CC1=CC=C2OC(C(=O)[O-])=CC2=C1	REAL300000020577	0	45	0.0	-82.33	370.76	8.59	-73.74
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CC[NH+](CC)CCC(=O)NN=CC1=CC=CC(F)=C1C(=O)[O-]	REAL300000020579	0	42	0.0	-90.43	341.09	7.91	-82.52
CC[NH+](CC)CCC(=O)NN=CC1=CC=CC=C1OCC1=CC=C(C(=O)[O-])O1	REAL300000020580	0	53	0.0	-75.52	428.92	9.69	-65.83
CC[NH+](CC)CCC(=O)NN=CC1=CC=CC(Br)=C1C(=O)[O-]	REAL300000020581	0	42	0.0	-84.29	358.74	8.71	-75.58
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CC(=NNC(=O)CC[NH+]1CCCCCC1)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000020618	0	49	0.0	-86.52	375.71	9.17	-77.35
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CC(=NNC(=O)CC[NH+]1CCCCCC1)C1=CC(C(=O)[O-])=CC=C1C	REAL300000020624	0	52	0.0	-87.62	393.50	9.61	-78.01
CC(=NNC(=O)CC[NH+]1CCCCCC1)C1=CC=C(C(=O)[O-])O1	REAL300000020625	0	46	0.0	-80.28	357.61	7.77	-72.51
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CC1C(=NNC(=O)CC[NH+]2CCCCCC2)CCC(C(=O)[O-])C1(C)C	REAL300000020640	0	58	0.0	-72.38	397.41	8.99	-63.39
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CC(CC1(C(=O)[O-])CCC1)=NNC(=O)CC[NH+]1CCCCCC1	REAL300000020646	0	52	0.0	-80.02	378.34	8.66	-71.36
CC(=NNC(=O)CC[NH+]1CCCCCC1)C1=C(CC(=O)[O-])C2=CC=C(C)C=C2O1	REAL300000020647	0	58	0.0	-83.51	442.52	11.32	-72.19
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CC(=NNC(=O)CC[NH+]1CCCCCC1)C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000020654	0	59	0.0	-78.23	438.20	10.34	-67.89
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O=C([O-])C1=CC=C(C2=CC=C(C=NNC(=O)CC[NH+]3CCCCCC3)C=C2)C=C1	REAL300000020656	0	56	0.0	-88.45	431.48	11.96	-76.49
CC(=NNC(=O)CC[NH+]1CCCCCC1)C1=CN=CC(C(=O)[O-])=C1	REAL300000020657	0	48	0.0	-84.85	366.52	7.34	-77.51
O=C([O-])C1=CC=C2NC=C(C=NNC(=O)CC[NH+]3CCCCCC3)C2=C1	REAL300000020658	0	50	0.0	-96.42	388.16	8.63	-87.79
O=C([O-])C1=CC=C(C=NNC(=O)CC[NH+]2CCCCCC2)C=N1	REAL300000020659	0	45	0.0	-89.08	353.23	6.79	-82.29
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CC1=CC=C(C=NNC(=O)CC[NH+]2CCCCCC2)C=C1C(=O)[O-]	REAL300000020661	0	49	0.0	-77.02	373.53	9.10	-67.92
O=C([O-])C1=C(Cl)SC(C=NNC(=O)CC[NH+]2CCCCCC2)=C1	REAL300000020662	0	43	0.0	-78.65	362.87	8.12	-70.53
CC(=NNC(=O)CC[NH+]1CCCCCC1)C1=CC=C(C(=O)[O-])C=C1C	REAL300000020663	0	52	0.0	-85.99	393.27	9.59	-76.40
O=C([O-])C1=CN=C(Cl)C=C1C=NNC(=O)CC[NH+]1CCCCCC1	REAL300000020664	0	45	0.0	-61.60	363.93	7.01	-54.59
CN1N=C(C(=O)[O-])C=C1C=NNC(=O)CC[NH+]1CCCCCC1	REAL300000020665	0	46	0.0	-94.34	360.82	6.21	-88.13
O=C([O-])C1=CC(C2=CC=C(C=NNC(=O)CC[NH+]3CCCCCC3)O2)=CC=C1O	REAL300000020666	0	54	0.0	-97.06	427.50	8.37	-88.69
CN1C=C(C(=O)[O-])C=C1C=NNC(=O)CC[NH+]1CCCCCC1	REAL300000020667	0	47	0.0	-93.59	365.50	7.98	-85.61
CN(C)C1=CC=C(C(=O)[O-])C=C1C=NNC(=O)CC[NH+]1CCCCCC1	REAL300000020668	0	54	0.0	-76.50	409.38	9.42	-67.08
CC1=C(C(=O)[O-])C=C(C=NNC(=O)CC[NH+]2CCCCCC2)O1	REAL300000020669	0	46	0.0	-80.93	359.25	7.36	-73.57
O=C([O-])C1=CC=C(C2=CC=C(C=NNC(=O)CC[NH+]3CCCCCC3)S2)C=C1	REAL300000020670	0	53	0.0	-88.60	425.79	11.23	-77.37
O=C([O-])C1=CC(C2=CC=C(C=NNC(=O)CC[NH+]3CCCCCC3)S2)=CC=C1	REAL300000020671	0	53	0.0	-92.87	426.07	11.27	-81.60
CCC1=CC(C(=O)[O-])=C(C=NNC(=O)CC[NH+]2CCCCCC2)S1	REAL300000020672	0	49	0.0	-69.13	388.15	9.01	-60.12
COC1=CC=C(C(=O)[O-])C=C1C=NNC(=O)CC[NH+]1CCCCCC1	REAL300000020673	0	50	0.0	-78.24	384.61	8.22	-70.02
O=C([O-])C1=CC=C2SC=C(C=NNC(=O)CC[NH+]3CCCCCC3)C2=C1	REAL300000020674	0	49	0.0	-87.41	391.08	10.01	-77.40
O=C([O-])C1=CN=C2CCCC(=NNC(=O)CC[NH+]3CCCCCC3)C2=C1	REAL300000020675	0	52	0.0	-86.77	390.49	8.50	-78.27
O=C([O-])C1=COC(C=NNC(=O)CC[NH+]2CCCCCC2)=C1	REAL300000020676	0	43	0.0	-80.93	341.30	6.64	-74.29
O=C([O-])C1=CC=C(Br)C(C=NNC(=O)CC[NH+]2CCCCCC2)=C1	REAL300000020677	0	46	0.0	-74.19	373.35	9.42	-64.77
CC1=CC=C(C=NNC(=O)CC[NH+]2CCCCCC2)C(C(=O)[O-])=C1	REAL300000020678	0	49	0.0	-67.66	373.13	8.99	-58.67
COC1=CC(C=NNC(=O)CC[NH+]2CCCCCC2)=CC=C1C(=O)[O-]	REAL300000020679	0	50	0.0	-91.77	384.68	8.63	-83.14
O=C([O-])C1=CC(F)=C(C=NNC(=O)CC[NH+]2CCCCCC2)C(F)=C1	REAL300000020680	0	46	0.0	-75.87	367.34	8.74	-67.13
CC1=C(C(=O)[O-])NC(C=NNC(=O)CC[NH+]2CCCCCC2)=C1	REAL300000020681	0	47	0.0	-85.08	362.60	6.72	-78.36
O=C([O-])C1=CC2=CC=CC=C2C(C=NNC(=O)CC[NH+]2CCCCCC2)=C1O	REAL300000020682	0	53	0.0	-89.28	406.90	9.02	-80.26
O=C([O-])C1=C(C=NNC(=O)CC[NH+]2CCCCCC2)SC(Cl)=C1	REAL300000020683	0	43	0.0	-65.58	361.84	8.06	-57.52
O=C([O-])C1=C(C=NNC(=O)CC[NH+]2CCCCCC2)SC=C1	REAL300000020684	0	43	0.0	-68.63	344.81	7.43	-61.20
O=C([O-])C1=CC(C=NNC(=O)CC[NH+]2CCCCCC2)=CS1	REAL300000020685	0	43	0.0	-77.14	349.34	7.62	-69.52
CCOC1=CC(C=NNC(=O)CC[NH+]2CCCCCC2)=CC=C1OCC(=O)[O-]	REAL300000020686	0	57	0.0	-88.74	439.65	9.52	-79.22
O=C([O-])C1=NN(C2CCOCC2)C=C1C=NNC(=O)CC[NH+]1CCCCCC1	REAL300000020687	0	57	0.0	-88.85	427.89	7.59	-81.26
COC1=CC=C(C)C(C=NNC(=O)CC[NH+]2CCCCCC2)=C1C(=O)[O-]	REAL300000020688	0	53	0.0	-93.39	401.75	8.70	-84.69
CN1C2=CC=C(F)C=C2C(C=NNC(=O)CC[NH+]2CCCCCC2)=C1C(=O)[O-]	REAL300000020689	0	53	0.0	-65.59	409.29	9.98	-55.61
CC(=NNC(=O)CC[NH+]1CCCCCC1)C1=C(C(=O)[O-])C2=CC=CC=C2S1	REAL300000020690	0	52	0.0	-78.80	407.35	10.34	-68.46
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CC(=NNC(=O)CC[NH+]1CCCCCC1)C1=C(C(=O)[O-])C2=CC=CC=C2N=C1	REAL300000020693	0	54	0.0	-88.97	409.21	9.74	-79.23
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O=C([O-])C1=C(C=NNC(=O)CC[NH+]2CCCCCC2)C2=C(C=C1)OCO2	REAL300000020698	0	49	0.0	-79.64	381.53	7.52	-72.12
N#CC1=CC=C(C(=O)[O-])C(C=NNC(=O)CC[NH+]2CCCCCC2)=C1	REAL300000020699	0	47	0.0	-61.76	372.50	8.70	-53.06
O=C([O-])COC1=CC=C(C=NNC(=O)CC[NH+]2CCCCCC2)C=C1Cl	REAL300000020700	0	50	0.0	-84.86	404.75	9.40	-75.46
CC1=NSC(C=NNC(=O)CC[NH+]2CCCCCC2)=C1C(=O)[O-]	REAL300000020701	0	45	0.0	-64.49	356.43	6.65	-57.84
O=C([O-])C1=CC2=C(C=NNC(=O)CC[NH+]3CCCCCC3)C(F)=CC=C2S1	REAL300000020702	0	49	0.0	-74.59	397.89	10.13	-64.46
COC1=CC(C(=O)[O-])=CC=C1C=NNC(=O)CC[NH+]1CCCCCC1	REAL300000020703	0	50	0.0	-84.50	384.56	8.19	-76.31
O=C([O-])[C@H]1C[C@H](N2C=CC(C=NNC(=O)CC[NH+]3CCCCCC3)=N2)C1	REAL300000020704	0	53	0.0	-82.13	405.27	8.11	-74.02
CC1=C(C2=NN=C(SCC(=O)[O-])N2N=C2CC(C)[N@@H+](C3CC3)C2)C=CO1	REAL300000023588	1	47	0.0	-72.65	395.99	11.38	-61.27
CC1=C(C2=NN=C(SCC(=O)[O-])N2N=C2CC(C)[N@H+](C3CC3)C2)C=CO1	REAL300000023588	1	47	0.0	-70.64	395.50	11.28	-59.36
CC1=C(C2=NN=C(SCC(=O)[O-])N2N=CC2=CC=C[NH+]=C2N)C=CO1	REAL300000023591	1	39	0.0	-70.14	353.03	9.06	-61.08
CC1=C(C2=NN=C(SCC(=O)[O-])N2N=CC2=C[NH+]=CC=C2N(C)C)C=CO1	REAL300000023651	0	45	0.0	-78.90	395.03	10.43	-68.47
CC1=C(C2=NN=C(SCC(=O)[O-])N2N=CC2=CC=C[NH+]=C2N(C)C)C=CO1	REAL300000023895	1	45	0.0	-73.70	395.07	11.26	-62.44
CC1=C(C2=NN=C(SCC(=O)[O-])N2N=CC2=NOC(C[NH+](C)C)=C2)C=CO1	REAL300000023896	1	45	0.0	-83.59	402.08	10.45	-73.14
CC1=C(C2=NN=C(SCC(=O)[O-])N2N=CC2=CC=C(N)[NH+]=C2)C=CO1	REAL300000023900	1	39	0.0	-74.26	358.62	8.45	-65.81
CC1=C(C2=NN=C(SCC(=O)[O-])N2N=CC(C)(C)C[NH+](C)C)C=CO1	REAL300000023995	0	48	0.0	-68.87	395.84	11.07	-57.80
CC1=C(C2=NN=C(SCC(=O)[O-])N2N=CC2CC[NH+](C)CC2)C=CO1	REAL300000024035	0	46	0.0	-78.40	388.26	11.00	-67.40
CC1=C(C2=NN=C(SCC(=O)[O-])N2N=C2CCC[C@H]3C[N@@H+](C)C[C@@H]23)C=CO1	REAL300000024166	0	50	0.0	-86.03	403.46	11.58	-74.45
CC1=C(C2=NN=C(SCC(=O)[O-])N2N=C2CCC[C@H]3C[N@H+](C)C[C@@H]23)C=CO1	REAL300000024166	1	50	0.0	-78.04	406.73	11.59	-66.45
CCN(CC1=CC=CC=C1)C1=CC=C(C=[NH+]NC2=CC=CC=C2C(=O)[O-])C=C1	REAL300000029890	1	51	0.0	-48.60	409.75	13.63	-34.97
CC[NH+](CC)CC1=CC(C(C)=NNC2=CC=CC=C2C(=O)[O-])=CC=C1O	REAL300000029912	0	51	0.0	-73.12	387.44	9.50	-63.62
CC(=NNC1=CC=CC=C1C(=O)[O-])C1=CC=C(O)C(C[NH+]2CCCCC2)=C1	REAL300000029914	0	52	0.0	-73.91	405.24	10.13	-63.78
CCN(CCO)C1=CC=C(C=[NH+]NC2=CC=CC=C2C(=O)[O-])C(C)=C1	REAL300000029999	1	48	0.0	-44.24	377.69	8.05	-36.19
COC1=CC=C(C(C)=NNC2=CC=CC=C2C(=O)[O-])C=C1C[NH+]1CCCCC1	REAL300000030090	0	55	0.0	-71.76	418.64	12.34	-59.42
COC1=CC=C(C(C)=NNC2=CC=CC=C2C(=O)[O-])C=C1C[NH+]1CCCC1	REAL300000030091	0	52	0.0	-71.25	408.14	11.43	-59.82
CN(CCO)C1=CC=C(C=[NH+]NC2=CC=CC=C2C(=O)[O-])C=C1	REAL300000030111	1	42	0.0	-46.05	338.44	6.64	-39.41
O=C([O-])C1=CC=CC=C1N[NH+]=CC1=CC=C(N2CCOCC2)C=C1	REAL300000030142	1	43	0.0	-46.63	340.00	7.33	-39.30
CC[NH+]1CCN(C2=CC=C(C(C)=NNC3=CC=CC=C3C(=O)[O-])C=C2F)CC1	REAL300000030172	1	53	0.0	-77.38	411.07	11.08	-66.30
COC1=[NH+]C(N)=NC(N2CCCC2)=C1C=NNC1=CC=CC=C1C(=O)[O-]	REAL300000030207	1	46	0.0	-65.35	372.25	7.57	-57.78
CC[NH+](CC)CCN1C(=O)C(=NNC2=CC=CC=C2C(=O)[O-])C2=CC=CC=C21	REAL300000030216	0	52	0.0	-74.07	409.22	11.83	-62.24
CCN(CC)C1=CC=C(C=[NH+]NC2=CC=CC=C2C(=O)[O-])C=C1	REAL300000030297	1	44	0.0	-43.73	351.13	10.81	-32.92
O=C([O-])C1=CC=CC=C1N[NH+]=CC1=CC=C(N2CCCCC2)C=C1	REAL300000030302	1	45	0.0	-44.56	348.94	9.78	-34.78
O=C([O-])C1=CC=CC=C1N=NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300000030314	0	42	0.0	-68.46	340.87	9.61	-58.85
O=C([O-])C1=CC=CC=C1N=NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300000030314	1	42	0.0	-68.89	342.37	9.70	-59.19
O=C([O-])C1=CC=CC=C1NN=CC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300000030362	0	49	0.0	-76.62	389.19	11.43	-65.19
CC[N@@H+]1CCCC1CN1C(C)=CC(CN=NC2=CC=CC=C2C(=O)[O-])=C1C	REAL300000030366	0	55	0.0	-87.96	426.20	11.69	-76.27
CC[N@H+]1CCCC1CN1C(C)=CC(CN=NC2=CC=CC=C2C(=O)[O-])=C1C	REAL300000030366	1	55	0.0	-83.27	412.91	12.56	-70.71
CC[N@@H+]1CCCC1CN1C(C)=CC(C=NNC2=CC=CC=C2C(=O)[O-])=C1C	REAL300000030366	1	55	0.0	-82.68	410.78	12.51	-70.17
CC[N@H+]1CCCC1CN1C(C)=CC(C=NNC2=CC=CC=C2C(=O)[O-])=C1C	REAL300000030366	1	55	0.0	-82.68	410.78	12.51	-70.17
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O=C([O-])C1=CC=CC=C1N[NH+]=CC1=CC=C(N2CCCC2)C=C1	REAL300000030390	1	42	0.0	-44.90	333.85	9.01	-35.89
CC1=CC(CN=NC2=CC=CC=C2C(=O)[O-])=C(C)N1CCN1CCOCC1	REAL300000030397	0	53	0.0	-91.80	420.07	9.56	-82.24
C[NH+](C)CCOC1=CC=C(C=NNC2=CC=CC=C2C(=O)[O-])C=C1	REAL300000030423	0	45	0.0	-76.92	365.57	10.15	-66.77
CN(C1=CC=CC=C1C=NNC1=CC=CC=C1C(=O)[O-])C1CC[NH+](C)CC1	REAL300000030435	0	53	0.0	-70.16	401.26	12.11	-58.05
CN1CCN(C2=CC=C(C=NNC3=CC=CC=C3C(=O)[O-])C=C2F)CC1	REAL300000030464	0	47	0.0	-79.54	383.33	9.84	-69.70
C[NH+]1CCN(C2=CC=C(C=NNC3=CC=CC=C3C(=O)[O-])C=C2F)CC1	REAL300000030464	1	47	0.0	-79.54	383.33	9.84	-69.70
CC1=NN2C(=NC3=CC=CC=C3C2=O)C1=CNNC1=CC=CC=C1C(=O)[O-]	REAL300000030473	0	42	0.0	-66.51	352.58	9.03	-57.48
CC1=NN2C(=NC3=CC=CC=C3C2=O)C1=C[NH2+]NC1=CC=CC=C1C(=O)[O-]	REAL300000030473	1	42	0.0	-66.51	352.58	9.03	-57.48
CC(=NNC1=CC=CC=C1C(=O)[O-])C1=CC=CC(OCC[NH+](C)C)=C1	REAL300000030506	0	48	0.0	-76.39	379.48	10.72	-65.67
CC(=NNC1=CC=CC=C1C(=O)[O-])C1=CC=C(O)C(CN2CCOCC2)=C1	REAL300000030508	0	50	0.0	-74.55	392.78	7.73	-66.82
CC(=NNC1=CC=CC=C1C(=O)[O-])C1=CC=C(O)C(C[NH+]2CCOCC2)=C1	REAL300000030508	1	50	0.0	-74.55	392.78	7.73	-66.82
CC(=NNC1=CC=CC=C1C(=O)[O-])C1=CC=C(OCC[NH+](C)C)C=C1	REAL300000030539	0	48	0.0	-80.71	383.27	10.70	-70.01
CN1CCCC2=CC(C=NNC3=CC=CC=C3C(=O)[O-])=CC=C21	REAL300000030554	0	42	0.0	-44.52	330.21	9.02	-35.50
CN1CCCC2=CC(C=[NH+]NC3=CC=CC=C3C(=O)[O-])=CC=C21	REAL300000030554	1	42	0.0	-44.52	330.21	9.02	-35.50
CC(N=NC1=CC=CC=C1C(=O)[O-])C1CN(CC2=CC=CC=C2)CCO1	REAL300000030746	0	49	0.0	-71.70	380.59	9.14	-62.56
CC(N=NC1=CC=CC=C1C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300000030746	1	49	0.0	-73.05	380.28	9.19	-63.86
CC(N=NC1=CC=CC=C1C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300000030746	1	49	0.0	-73.05	380.28	9.19	-63.86
C[N@H+](CC1=CC=CC=C1)CC(C)(C)CN=NC1=CC=CC=C1C(=O)[O-]	REAL300000030791	0	50	0.0	-71.94	384.97	11.33	-60.61
C[N@@H+](CC1=CC=CC=C1)CC(C)(C)CN=NC1=CC=CC=C1C(=O)[O-]	REAL300000030791	1	50	0.0	-71.94	384.97	11.33	-60.61
CC1C[N@H+](CC2=CC=CC=C2)CC1N=NC1=CC=CC=C1C(=O)[O-]	REAL300000030818	0	45	0.0	-66.06	361.41	10.63	-55.43
CC1C[N@@H+](CC2=CC=CC=C2)CC1N=NC1=CC=CC=C1C(=O)[O-]	REAL300000030818	1	45	0.0	-66.06	361.41	10.63	-55.43
CN1CCN(C2=NC=C(C=NNC3=CC=CC=C3C(=O)[O-])C=N2)CC1	REAL300000030841	0	45	0.0	-75.43	363.78	9.12	-66.31
C[NH+]1CCN(C2=NC=C(C=NNC3=CC=CC=C3C(=O)[O-])C=N2)CC1	REAL300000030841	1	45	0.0	-75.43	363.78	9.12	-66.31
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1N=NC1=CC=CC=C1C(=O)[O-]	REAL300000030881	0	51	0.0	-72.24	391.74	11.71	-60.53
CC1CC(N=NC2=CC=CC=C2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300000030911	0	45	0.0	-65.55	355.46	9.93	-55.62
CC1CC(N=NC2=CC=CC=C2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300000030911	1	45	0.0	-65.55	355.46	9.93	-55.62
CC1C(NNC2=CC=CC=C2C(=O)[O-])=CC(=O)N1CC1=CC=CC=C1	REAL300000030919	0	44	0.0	-59.56	362.74	9.82	-49.74
CC1C([NH2+]NC2=CC=CC=C2C(=O)[O-])=CC(=O)N1CC1=CC=CC=C1	REAL300000030919	1	44	0.0	-59.56	362.74	9.82	-49.74
C[NH+]1CCN(C2=CC=C(C=NNC3=CC=CC=C3C(=O)[O-])C=C2)CC1	REAL300000031045	0	47	0.0	-79.79	369.46	9.54	-70.25
CC1CC[N@H+](CC2=CC=CC=C2)CC1N=NC1=CC=CC=C1C(=O)[O-]	REAL300000031056	0	48	0.0	-55.04	371.06	11.02	-44.02
CC1CC[N@@H+](CC2=CC=CC=C2)CC1N=NC1=CC=CC=C1C(=O)[O-]	REAL300000031056	1	48	0.0	-56.52	376.33	11.38	-45.14
CCC1=[NH+]C(CN=NC2=CC=CC=C2C(=O)[O-])=C2C=CC=CN12	REAL300000031079	1	39	0.0	-56.51	334.21	9.53	-46.98
CC(C)C1=[NH+]C(CN=NC2=CC=CC=C2C(=O)[O-])=C2C=CC=CN21	REAL300000031081	1	42	0.0	-55.56	352.92	10.11	-45.45
CC1CC(N=NC2=CC=CC=C2C(=O)[O-])C[N@H+](CC2=CC=CC=C2)C1	REAL300000031146	0	48	0.0	-72.60	377.57	11.27	-61.33
CC1CC(N=NC2=CC=CC=C2C(=O)[O-])C[N@@H+](CC2=CC=CC=C2)C1	REAL300000031146	1	48	0.0	-72.62	377.61	11.27	-61.35
CC(N=NC1=CC=CC=C1C(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300000031173	0	48	0.0	-71.96	381.44	10.88	-61.08
CC(N=NC1=CC=CC=C1C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300000031173	1	48	0.0	-70.74	381.71	10.89	-59.85
CC(C[NH+]1CC2=CC=CC=C2C1)N=NC1=CC=CC=C1C(=O)[O-]	REAL300000031190	1	42	0.0	-68.06	343.68	9.89	-58.17
O=C([O-])C1=CC=CC=C1N[NH+]=CC1=CC=C2C(=C1)CCN2CC1=CC=CC=C1	REAL300000031385	1	49	0.0	-45.57	390.59	11.84	-33.73
C[NH+](C)CC(C)(CN=NC1=CC=CC=C1C(=O)[O-])C1=CC=CC=C1	REAL300000031479	0	47	0.0	-60.06	359.41	10.42	-49.64
CC1C(N=NC2=CC=CC=C2C(=O)[O-])CCC[N@@H+]1CC1=CC=CC=C1	REAL300000031504	0	48	0.0	-68.11	367.89	10.63	-57.48
CC1C(N=NC2=CC=CC=C2C(=O)[O-])CCC[N@H+]1CC1=CC=CC=C1	REAL300000031504	1	48	0.0	-68.02	374.59	10.92	-57.10
CC(=NNC1=CC=CC=C1C(=O)[O-])C1=CC=C(C[NH+](C)C)C=C1	REAL300000031571	0	44	0.0	-81.86	353.43	10.93	-70.93
CC(=NNC1=CC=CC=C1C(=O)[O-])C1=CC=CC(C[NH+](C)C)=C1	REAL300000031572	0	44	0.0	-77.60	353.44	10.91	-66.69
COCC[NH+]1C2CCC1CC(N=NC1=CC=CC=C1C(=O)[O-])C2	REAL300000031574	0	46	0.0	-66.60	337.64	8.04	-58.56
CC1C(N=NC2=CC=CC=C2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300000031613	0	45	0.0	-67.39	353.31	10.25	-57.14
CC1C(N=NC2=CC=CC=C2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300000031613	1	45	0.0	-66.06	363.46	10.35	-55.71
C[NH+](C)CCN1C(=O)C(=NNC2=CC=CC=C2C(=O)[O-])C2=CC=CC=C21	REAL300000031618	0	46	0.0	-77.98	374.08	10.48	-67.50
O=C([O-])C1=CC=CC=C1N=NC1CC[N@H+](C2CC2)C(C2=CC=CC=C2)C1	REAL300000031650	0	49	0.0	-60.15	373.00	11.03	-49.12
O=C([O-])C1=CC=CC=C1N=NC1CC[N@@H+](C2CC2)C(C2=CC=CC=C2)C1	REAL300000031650	1	49	0.0	-59.59	369.73	10.99	-48.60
CC1OC2(CC1N=NC1=CC=CC=C1C(=O)[O-])CC[NH+](C)CC2	REAL300000031707	0	46	0.0	-73.36	356.36	7.80	-65.56
CC1(C)CC(N=NC2=CC=CC=C2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300000031739	0	48	0.0	-61.01	373.86	10.41	-50.60
CC1(C)CC(N=NC2=CC=CC=C2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300000031739	1	48	0.0	-60.25	375.21	10.43	-49.82
O=C([O-])C1=CC=CC=C1NN=CC1=CC=NN1C1=CC=[NH+]C=C1	REAL300000031815	1	36	0.0	-63.66	312.46	7.94	-55.72
CC(C)(C)C1(CN=NC2=CC=CC=C2C(=O)[O-])CC[N@H+](CC2=CC=CC=C2)C1	REAL300000031816	0	57	0.0	-70.82	422.62	12.42	-58.40
CC(C)(C)C1(CN=NC2=CC=CC=C2C(=O)[O-])CC[N@@H+](CC2=CC=CC=C2)C1	REAL300000031816	1	57	0.0	-70.27	423.14	12.31	-57.96
O=C([O-])C1=CC=CC=C1N=NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300000031839	0	48	0.0	-73.27	379.80	11.07	-62.20
O=C([O-])C1=CC=CC=C1N=NC1CCC[N@@H+]2CCSCC12	REAL300000031944	1	40	0.0	-70.27	319.54	8.57	-61.70
O=C([O-])C1=CC=CC=C1N=NC1CCC[N@H+]2CCSCC12	REAL300000031944	1	40	0.0	-70.21	319.50	8.56	-61.65
O=C([O-])C1=CC=CC=C1N=NC1CC[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]12	REAL300000031996	0	49	0.0	-74.62	384.62	11.37	-63.25
O=C([O-])C1=CC=CC=C1N=NC1CC[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]12	REAL300000031996	1	49	0.0	-75.04	380.36	11.53	-63.51
CCN1CCC2=CC(C=[NH+]NC3=CC=CC=C3C(=O)[O-])=CC=C21	REAL300000032101	1	42	0.0	-45.02	332.97	9.00	-36.02
CC1CCC(N=NC2=CC=CC=C2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300000032188	0	48	0.0	-69.60	369.06	10.52	-59.08
CC1CCC(N=NC2=CC=CC=C2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300000032188	1	48	0.0	-68.52	366.72	10.86	-57.66
C[NH+](C)CCC1=CC=C(C=NNC2=CC=CC=C2C(=O)[O-])C=C1	REAL300000032218	0	44	0.0	-79.79	358.29	11.21	-68.58
CCN1CCCC2=CC(C=[NH+]NC3=CC=CC=C3C(=O)[O-])=CC=C21	REAL300000032321	1	45	0.0	-47.01	348.17	9.60	-37.41
O=C([O-])C1=CC=CC=C1N=NC1CCC2CCC(C1)[N@@H+]2CC1=CC=CC=C1	REAL300000032468	0	52	0.0	-71.14	380.53	11.13	-60.01
O=C([O-])C1=CC=CC=C1N=NC1CCC2CCC(C1)[N@H+]2CC1=CC=CC=C1	REAL300000032468	1	52	0.0	-69.71	387.42	11.75	-57.96
CCN(C)C1=CC=C(C=[NH+]NC2=CC=CC=C2C(=O)[O-])C(C)=C1	REAL300000032489	1	44	0.0	-42.52	346.76	10.35	-32.17
O=C([O-])C1=CC=CC=C1N[NH+]=CC1=CC=C(N2CCC(O)C2)C=C1	REAL300000032545	1	43	0.0	-46.71	345.03	5.63	-41.08
CC(=NNC(N)=[NH2+])C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300000033398	0	46	0.0	-65.44	379.09	5.38	-60.06
NC(=[NH2+])NN=CC1=CC(Br)=CC=C1OCC(=O)[O-]	REAL300000033399	0	29	0.0	-36.77	273.12	6.09	-30.68
NC(=[NH2+])NN=CC1=CC=CC(OCC2=CC=CC=C2C(=O)[O-])=C1	REAL300000033400	0	39	0.0	-70.11	331.88	8.11	-62.00
CC1=C(C(=O)[O-])OC(COC2=CC=C(C=NNC(N)=[NH2+])C=C2)=C1	REAL300000033401	0	39	0.0	-74.18	339.83	7.19	-66.99
NC(=[NH2+])NN=CC1=CC=CC(OCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000033402	0	39	0.0	-72.44	339.09	8.12	-64.32
NC(=[NH2+])NN=CC1=CC=C(OCC(=O)[O-])C(Br)=C1	REAL300000033403	0	29	0.0	-68.53	279.23	5.77	-62.76
NC(=[NH2+])NN=CC1=CC=C(OCCN2C=C(C(=O)[O-])N=N2)C(Cl)=C1	REAL300000033404	0	38	0.0	-72.15	354.48	5.28	-66.87
COC1=CC(C=NNC(N)=[NH2+])=C([N+](=O)[O-])C=C1OCC(=O)[O-]	REAL300000033405	0	35	0.0	-72.00	310.46	5.26	-66.74
CN(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1C=NNC(N)=[NH2+]	REAL300000033406	0	36	0.0	-49.54	319.41	6.14	-43.40
CC(CCC1=CC=C(OCC2=CC=CC(C(=O)[O-])=C2)C=C1)N=NC(N)=[NH2+]	REAL300000033407	0	48	0.0	-75.27	403.02	9.23	-66.04
CCC(=NNC(N)=[NH2+])C1=CC=C(OCCCCC(=O)[O-])C=C1	REAL300000033408	0	44	0.0	-64.37	357.93	8.08	-56.29
COC1=CC(C(C)=NNC(N)=[NH2+])=CC=C1OCCCC(=O)[O-]	REAL300000033409	0	42	0.0	-71.70	344.31	6.47	-65.23
CC(=NNC(N)=[NH2+])C1=CC(Br)=CC=C1OCC(=O)[O-]	REAL300000033410	0	32	0.0	-49.34	298.33	6.30	-43.04
NC(=[NH2+])NN=CC1=CC=CC(OC(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300000033411	0	39	0.0	-68.46	336.80	8.80	-59.66
COC1=CC(C=NNC(N)=[NH2+])=CC(Cl)=C1OC(C)C(=O)[O-]	REAL300000033412	0	36	0.0	-76.28	324.41	6.32	-69.96
NC(=[NH2+])NN=CC1=CC(C(=O)[O-])=CC(Br)=C1O	REAL300000033413	0	26	0.0	-61.20	256.81	3.03	-58.17
COC1=CC(Br)=CC(C=NNC(N)=[NH2+])=C1OCC(=O)[O-]	REAL300000033414	0	33	0.0	-42.00	302.88	6.07	-35.93
NC(=[NH2+])NN=CC1=CC=C(OCC2=CC=C(C(=O)[O-])O2)C=C1	REAL300000033415	0	36	0.0	-73.29	321.86	6.60	-66.69
NC(=[NH2+])NN=CC1=CC(I)=CC(C(=O)[O-])=C1	REAL300000033416	0	25	0.0	-61.37	255.57	5.92	-55.45
NC(=[NH2+])NN=CC1=CC=CC=C1OCC1=CC=C(C(=O)[O-])O1	REAL300000033417	0	36	0.0	-50.53	318.80	6.97	-43.56
CC[NH+](CC)CC1=CC(C(C)=NNC2=CC=C(Cl)C(C(=O)[O-])=C2)=CC=C1O	REAL300000033798	0	51	0.0	-72.24	401.83	9.77	-62.47
COC1=[NH+]C(N)=NC(N2CCCC2)=C1C=NNC1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000034119	1	46	0.0	-69.28	390.42	7.73	-61.55
O=C([O-])C1=CC(N=NC2CC[N@H+](CC3=CC=CC=C3)C2)=CC=C1Cl	REAL300000034225	0	42	0.0	-73.60	357.95	9.92	-63.68
O=C([O-])C1=CC(N=NC2CC[N@@H+](CC3=CC=CC=C3)C2)=CC=C1Cl	REAL300000034225	1	42	0.0	-73.20	357.99	9.92	-63.28
O=C([O-])C1=CC(NN=CC2=CC=C(OCC[NH+]3CCCC3)C=C2)=CC=C1Cl	REAL300000034275	0	49	0.0	-76.46	407.01	11.67	-64.79
CC1=NC(C=NNC2=CC=C(Cl)C(C(=O)[O-])=C2)=C2C=CC=CN12	REAL300000034276	1	36	0.0	-60.53	327.98	9.14	-51.39
CC1=[NH+]C(CN=NC2=CC=C(Cl)C(C(=O)[O-])=C2)=C2C=CC=CN12	REAL300000034276	1	36	0.0	-60.53	327.98	9.14	-51.39
C[NH+](C)CCOC1=CC=C(C=NNC2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300000034330	0	45	0.0	-76.81	383.45	10.39	-66.42
CN1CCN(C2=CC=C(C=NNC3=CC=C(Cl)C(C(=O)[O-])=C3)C=C2F)CC1	REAL300000034373	0	47	0.0	-81.25	397.34	10.09	-71.16
C[NH+]1CCN(C2=CC=C(C=NNC3=CC=C(Cl)C(C(=O)[O-])=C3)C=C2F)CC1	REAL300000034373	1	47	0.0	-81.25	397.34	10.09	-71.16
CC1=NN2C(=NC3=CC=CC=C3C2=O)C1=CNNC1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000034383	0	42	0.0	-94.00	370.62	9.24	-84.76
CC1=NN2C(=NC3=CC=CC=C3C2=O)C1=C[NH2+]NC1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000034383	1	42	0.0	-94.00	370.62	9.24	-84.76
CC(=NNC1=CC=C(Cl)C(C(=O)[O-])=C1)C1=CC=CC(OCC[NH+](C)C)=C1	REAL300000034418	0	48	0.0	-75.19	397.31	10.95	-64.24
CC(=NNC1=CC=C(Cl)C(C(=O)[O-])=C1)C1=CC=C(OCC[NH+](C)C)C=C1	REAL300000034449	0	48	0.0	-78.63	397.29	10.95	-67.68
CC(N=NC1=CC=C(Cl)C(C(=O)[O-])=C1)C1CN(CC2=CC=CC=C2)CCO1	REAL300000034682	0	49	0.0	-71.77	405.69	9.85	-61.92
CC(N=NC1=CC=C(Cl)C(C(=O)[O-])=C1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300000034682	1	49	0.0	-71.84	405.75	9.86	-61.98
CC(N=NC1=CC=C(Cl)C(C(=O)[O-])=C1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300000034682	1	49	0.0	-71.84	405.75	9.86	-61.98
C[N@H+](CC1=CC=CC=C1)CC(C)(C)CN=NC1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000034731	0	50	0.0	-74.53	399.75	11.52	-63.01
C[N@@H+](CC1=CC=CC=C1)CC(C)(C)CN=NC1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000034731	1	50	0.0	-74.53	399.75	11.52	-63.01
CC1C[N@H+](CC2=CC=CC=C2)CC1N=NC1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000034768	0	45	0.0	-70.75	379.17	10.53	-60.22
CC1C[N@@H+](CC2=CC=CC=C2)CC1N=NC1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000034768	1	45	0.0	-70.75	379.17	10.53	-60.22
CC1CC(N=NC2=CC=C(Cl)C(C(=O)[O-])=C2)C[N@@H+]1C1CC1	REAL300000034792	0	39	0.0	-65.95	325.99	8.16	-57.79
CC1CC(N=NC2=CC=C(Cl)C(C(=O)[O-])=C2)C[N@H+]1C1CC1	REAL300000034792	1	39	0.0	-65.95	325.99	8.16	-57.79
CN1CCN(C2=NC=C(C=NNC3=CC=C(Cl)C(C(=O)[O-])=C3)C=N2)CC1	REAL300000034796	0	45	0.0	-78.43	381.60	9.36	-69.07
C[NH+]1CCN(C2=NC=C(C=NNC3=CC=C(Cl)C(C(=O)[O-])=C3)C=N2)CC1	REAL300000034796	1	45	0.0	-78.43	381.60	9.36	-69.07
CC(C)[N@@H+]1CC(C)C(N=NC2=CC=C(Cl)C(C(=O)[O-])=C2)C1	REAL300000034797	0	41	0.0	-64.51	335.41	8.38	-56.13
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CC1C[N@@H+](C2CC2)CC1N=NC1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000034821	0	39	0.0	-65.69	328.51	8.66	-57.03
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CC(N=NC1=CC=CC(C(=O)[O-])=C1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300000041790	1	49	0.0	-75.15	392.44	9.56	-65.59
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CC[NH+](CC)CC1=CC=C(C(=O)NN=CC2=CC(C(=O)[O-])=C(Cl)S2)O1	REAL300000045391	0	43	0.0	-78.53	388.71	8.67	-69.86
CC[NH+](CC)CC1=CC=C(C(=O)NN=C(C)C2=CC=C(C(=O)[O-])C=C2C)O1	REAL300000045392	0	52	0.0	-87.31	408.64	10.26	-77.05
CC[NH+](CC)CC1=CC=C(C(=O)NN=CC2=CC(Cl)=NC=C2C(=O)[O-])O1	REAL300000045393	0	45	0.0	-61.32	389.23	7.55	-53.77
CC[NH+](CC)CC1=CC=C(C(=O)NN=CC2=CC(C(=O)[O-])=NN2C)O1	REAL300000045394	0	46	0.0	-96.96	386.50	6.73	-90.23
CC[NH+](CC)CC1=CC=C(C(=O)NN=CC2=CC(C(=O)[O-])=CN2C)O1	REAL300000045395	0	47	0.0	-98.00	387.31	8.26	-89.74
CC[NH+](CC)CC1=CC=C(C(=O)NN=CC2=CC(C(=O)[O-])=CC=C2N(C)C)O1	REAL300000045396	0	54	0.0	-76.42	435.72	9.95	-66.47
CC[NH+](CC)CC1=CC=C(C(=O)NN=CC2=CC(C(=O)[O-])=C(C)O2)O1	REAL300000045397	0	46	0.0	-81.45	385.10	7.91	-73.54
CCC1=CC(C(=O)[O-])=C(C=NNC(=O)C2=CC=C(C[NH+](CC)CC)O2)S1	REAL300000045398	0	49	0.0	-69.70	414.48	9.55	-60.15
CC[NH+](CC)CC1=CC=C(C(=O)NN=CC2=CC(C(=O)[O-])=CC=C2OC)O1	REAL300000045399	0	50	0.0	-79.51	406.42	8.50	-71.01
CC[NH+](CC)CC1=CC=C(C(=O)NN=CC2=CSC3=CC=C(C(=O)[O-])C=C23)O1	REAL300000045400	0	49	0.0	-98.52	417.42	10.54	-87.98
CC[NH+](CC)CC1=CC=C(C(=O)NN=C2CCCC3=NC=C(C(=O)[O-])C=C23)O1	REAL300000045401	0	52	0.0	-91.67	416.44	9.01	-82.66
CC[NH+](CC)CC1=CC=C(C(=O)NN=CC2=CC(C(=O)[O-])=CO2)O1	REAL300000045402	0	43	0.0	-82.42	363.10	6.91	-75.51
CC[NH+](CC)CC1=CC=C(C(=O)NN=CC2=CC=C(C)C=C2C(=O)[O-])O1	REAL300000045403	0	49	0.0	-68.51	398.42	9.56	-58.95
CC[NH+](CC)CC1=CC=C(C(=O)NN=CC2=CC=C(C(=O)[O-])C(OC)=C2)O1	REAL300000045404	0	50	0.0	-93.28	410.52	9.18	-84.10
CC[NH+](CC)CC1=CC=C(C(=O)NN=CC2=C(F)C=C(C(=O)[O-])C=C2F)O1	REAL300000045405	0	46	0.0	-77.38	393.51	9.30	-68.08
CC[NH+](CC)CC1=CC=C(C(=O)NN=CC2=CC(C)=C(C(=O)[O-])N2)O1	REAL300000045406	0	47	0.0	-88.43	388.92	7.26	-81.17
CC[NH+](CC)CC1=CC=C(C(=O)NN=CC2=C(C(=O)[O-])C=C(Cl)S2)O1	REAL300000045407	0	43	0.0	-65.37	387.67	8.61	-56.76
CC[NH+](CC)CC1=CC=C(C(=O)NN=CC2=C(C(=O)[O-])C=CS2)O1	REAL300000045408	0	43	0.0	-70.42	366.62	7.71	-62.71
CC[NH+](CC)CC1=CC=C(C(=O)NN=CC2=CSC(C(=O)[O-])=C2)O1	REAL300000045409	0	43	0.0	-77.58	375.18	8.18	-69.40
CC[NH+](CC)CC1=CC=C(C(=O)NN=CC2=C(C)C=CC(OC)=C2C(=O)[O-])O1	REAL300000045410	0	53	0.0	-72.73	419.91	9.90	-62.83
CC[NH+](CC)CC1=CC=C(C(=O)NN=CC2=CC=C(CCC(=O)[O-])O2)O1	REAL300000045411	0	49	0.0	-87.11	409.55	8.86	-78.25
CC[NH+](CC)CC1=CC=C(C(=O)NN=CC2=CNC3=C(C(=O)[O-])C=CC=C23)O1	REAL300000045412	0	50	0.0	-87.06	411.71	9.30	-77.76
CC[NH+](CC)CC1=CC=C(C(=O)NN=CC2=CC=C3OC(C(=O)[O-])=CC3=C2)O1	REAL300000045413	0	49	0.0	-86.25	408.63	9.58	-76.67
CC[NH+](CC)CC1=CC=C(C(=O)NN=CC2=CC=CN3C(C(=O)[O-])=CN=C23)O1	REAL300000045414	0	49	0.0	-80.53	404.21	9.14	-71.39
CC[NH+](CC)CC1=CC=C(C(=O)NN=CC2=CC=CC(F)=C2C(=O)[O-])O1	REAL300000045415	0	46	0.0	-72.39	378.05	8.64	-63.75
CC[NH+](CC)CC1=CC=C(C(=O)NN=CC2=C(C(=O)[O-])C=CC3=C2OCO3)O1	REAL300000045416	0	49	0.0	-90.88	403.31	7.77	-83.11
CC[NH+](CC)CC1=CC=C(C(=O)NN=CC2=CC(C#N)=CC=C2C(=O)[O-])O1	REAL300000045417	0	47	0.0	-64.53	394.27	8.97	-55.56
CC[NH+](CC)CC1=CC=C(C(=O)NN=CC2=C(C(=O)[O-])C(C)=NS2)O1	REAL300000045418	0	45	0.0	-64.13	382.27	7.21	-56.92
CC[NH+](CC)CC1=CC=C(C(=O)NN=CC2=CC=C(C(=O)[O-])C=C2OC)O1	REAL300000045419	0	50	0.0	-86.42	410.74	8.75	-77.67
CC[NH+](CC)CC1=CC=C(C(=O)NN=CC2=NN([C@H]3C[C@H](C(=O)[O-])C3)C=C2)O1	REAL300000045420	0	53	0.0	-85.76	426.88	8.35	-77.41
C[NH+](C)CC(=O)NN=CC1=CC(Br)=CC=C1OCC(=O)[O-]	REAL300000049306	1	37	0.0	-66.83	329.63	7.63	-59.20
C[NH+](C)CC(=O)NN=CC1=CC=CC(OCC2=CC=CC=C2C(=O)[O-])=C1	REAL300000049307	1	47	0.0	-82.35	387.60	9.20	-73.15
C[NH+](C)CC(=O)NN=CC1=CC=C(OCC(=O)[O-])C([N+](=O)[O-])=C1	REAL300000049308	1	39	0.0	-89.69	340.54	7.38	-82.31
CC1=C(C(=O)[O-])OC(COC2=CC=C(C=NNC(=O)C[NH+](C)C)C=C2)=C1	REAL300000049309	1	47	0.0	-86.69	395.55	8.28	-78.41
C[NH+](C)CC(=O)NN=CC1=CC=CC(OCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000049310	1	47	0.0	-83.42	394.80	9.21	-74.21
COC1=CC=C(C=NNC(=O)C[NH+](C)C)C(OCC(=O)[O-])=C1	REAL300000049311	1	41	0.0	-73.27	337.71	6.32	-66.95
C[NH+](C)CC(=O)NN=CC1=CC=C(OC(F)(F)C(=O)[O-])C=C1	REAL300000049312	1	37	0.0	-77.48	323.88	5.76	-71.72
CN1C(C(=O)[O-])=CC(Br)=C1C=NNC(=O)C[NH+](C)C	REAL300000049313	1	34	0.0	-77.98	304.76	5.81	-72.17
C[NH+](C)CC(=O)NN=CC1=CC=C(OCC(=O)[O-])C(Br)=C1	REAL300000049314	1	37	0.0	-81.65	334.95	6.85	-74.80
COC1=C2OC(C(=O)[O-])=CC2=C(C=NNC(=O)C[NH+](C)C)C=C1	REAL300000049315	1	40	0.0	-89.69	339.13	6.03	-83.66
C[NH+](C)CC(=O)NN=CC1=CC=C(OCCN2C=C(C(=O)[O-])N=N2)C(Cl)=C1	REAL300000049316	1	46	0.0	-84.25	410.20	6.36	-77.89
COC1=CC(C=NNC(=O)C[NH+](C)C)=C([N+](=O)[O-])C=C1OCC(=O)[O-]	REAL300000049317	1	43	0.0	-80.13	366.11	6.35	-73.78
CN(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1C=NNC(=O)C[NH+](C)C	REAL300000049318	1	44	0.0	-63.06	366.70	8.72	-54.34
COC1=CC(C=NNC(=O)C[NH+](C)C)=CC=C1OCCC(=O)[O-]	REAL300000049319	1	44	0.0	-80.76	364.72	6.26	-74.50
C[NH+](C)CC(=O)NN=CC1=CN(CC(=O)[O-])C2=CC=CC=C12	REAL300000049320	1	40	0.0	-74.77	338.15	8.22	-66.55
CC(=NNC(=O)C[NH+](C)C)C1=CC=CC(OCCCC(=O)[O-])=C1	REAL300000049321	1	46	0.0	-81.01	370.87	7.69	-73.32
CC(CCC1=CC=C(OC(C)C(=O)[O-])C=C1)=NNC(=O)C[NH+](C)C	REAL300000049322	1	49	0.0	-82.27	393.13	8.98	-73.29
CC(CCC1=CC=C(OCC(=O)[O-])C=C1)=NNC(=O)C[NH+](C)C	REAL300000049323	1	46	0.0	-81.56	375.26	8.38	-73.18
CC(=NNC(=O)C[NH+](C)C)C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000049324	1	43	0.0	-82.66	346.11	7.39	-75.27
CC(CCC1=CC=C(OCCC(=O)[O-])C=C1)=NNC(=O)C[NH+](C)C	REAL300000049325	1	49	0.0	-77.04	396.20	8.51	-68.53
CC(CCC1=CC=C(OCC2=CC=CC(C(=O)[O-])=C2)C=C1)=NNC(=O)C[NH+](C)C	REAL300000049326	1	56	0.0	-87.70	455.48	11.38	-76.32
CCC(=NNC(=O)C[NH+](C)C)C1=CC=C(OCCCCC(=O)[O-])C=C1	REAL300000049327	1	52	0.0	-77.01	413.65	9.19	-67.82
COC1=CC(C(C)=NNC(=O)C[NH+](C)C)=CC=C1OCCCC(=O)[O-]	REAL300000049328	1	50	0.0	-84.10	400.04	7.60	-76.50
CC(=NNC(=O)C[NH+](C)C)C1=CC(Br)=CC=C1OCC(=O)[O-]	REAL300000049329	1	40	0.0	-67.39	343.47	8.21	-59.18
CC(=NNC(=O)C[NH+](C)C)C1=C(CC(=O)[O-])C2=CC=C(C)C=C2O1	REAL300000049330	1	45	0.0	-78.12	368.49	8.69	-69.43
C[NH+](C)CC(=O)NN=CC1=CC=CC(OC(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300000049331	1	47	0.0	-81.25	392.52	9.89	-71.36
COC1=CC(C=NNC(=O)C[NH+](C)C)=CC(Cl)=C1OC(C)C(=O)[O-]	REAL300000049332	1	44	0.0	-89.78	380.04	7.43	-82.35
C[NH+](C)CC(=O)NN=CC1=CC=C(C2=CC=C(O)C(C(=O)[O-])=C2)O1	REAL300000049333	1	41	0.0	-92.38	353.49	5.73	-86.65
C[NH+](C)CC(=O)NN=CC1=CC=C(C2=CC=CC(C(=O)[O-])=C2)S1	REAL300000049334	1	40	0.0	-89.04	352.05	8.64	-80.40
C[NH+](C)CC(=O)NN=CC1=CSC2=CC=C(C(=O)[O-])C=C12	REAL300000049335	1	36	0.0	-81.47	317.07	7.37	-74.10
C[NH+](C)CC(=O)NN=CC1=CC(C(=O)[O-])=CC=C1Br	REAL300000049336	1	33	0.0	-71.73	299.34	6.79	-64.94
COC1=CC(Br)=CC(C=NNC(=O)C[NH+](C)C)=C1OCC(=O)[O-]	REAL300000049338	1	41	0.0	-71.61	359.25	7.51	-64.10
C[NH+](C)CC(=O)NN=CC1=CC=C(OCC2=CC=C(C(=O)[O-])O2)C=C1	REAL300000049339	1	44	0.0	-85.83	377.58	7.69	-78.14
C[NH+](C)CC(=O)NN=CC1=CC(I)=CC(C(=O)[O-])=C1	REAL300000049340	1	33	0.0	-73.06	311.29	7.01	-66.05
C[NH+](C)CC(=O)NN=CC1=C(O)C(C(=O)[O-])=CC2=CC=CC=C21	REAL300000049341	1	40	0.0	-85.03	332.88	6.38	-78.65
C[NH+](C)CC(=O)NN=CC1=CC=C(C2=CC=CC(CC(=O)[O-])=C2)C=C1	REAL300000049342	1	46	0.0	-83.57	379.81	10.12	-73.45
CCOC1=CC(C=NNC(=O)C[NH+](C)C)=CC=C1OCC(=O)[O-]	REAL300000049343	1	44	0.0	-86.14	365.62	6.89	-79.25
C[NH+](C)CC(=O)NN=CC1=CN(C2CCOCC2)N=C1C(=O)[O-]	REAL300000049344	1	44	0.0	-82.65	353.87	4.97	-77.68
CN1C2=CC=C(F)C=C2C(C=NNC(=O)C[NH+](C)C)=C1C(=O)[O-]	REAL300000049345	1	40	0.0	-61.65	335.29	7.36	-54.29
C[NH+](C)CC(=O)NN=CC1=C(C(=O)[O-])C=C(Br)S1	REAL300000049346	1	30	0.0	-62.54	292.44	5.54	-57.00
C[NH+](C)CC(=O)NN=CC1=CC=CC=C1OCC1=CC=C(C(=O)[O-])O1	REAL300000049347	1	44	0.0	-70.80	375.32	8.04	-62.76
C[NH+](C)CC(=O)NN=CC1=CC=CC(Br)=C1C(=O)[O-]	REAL300000049348	1	33	0.0	-79.35	301.16	6.80	-72.55
C[NH+](C)CC(=O)NN=CC1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000049349	1	37	0.0	-82.15	330.57	6.74	-75.41
C[NH+](C)CC(=O)NN=CC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1	REAL300000049350	1	41	0.0	-80.19	359.72	2.43	-77.76
C[NH+](C)CC(=O)NN=CC1=C2C=C(C(=O)[O-])SC2=CC=C1F	REAL300000049351	1	36	0.0	-71.80	323.87	7.50	-64.30
C[NH+](C)CCCNC(=S)NN=CC1=CC=C(C(=O)[O-])C=C1	REAL300000052753	0	41	0.0	-75.82	352.55	8.84	-66.98
C[NH+](C)CCCNC(=S)NN=CC1=CC=CC=C1OCC(=O)[O-]	REAL300000052754	0	45	0.0	-77.31	382.83	9.17	-68.14
C[NH+](C)CCCNC(=S)NN=CC1=CC=C(OCC(=O)[O-])C=C1	REAL300000052755	0	45	0.0	-75.91	383.82	9.15	-66.76
C[NH+](C)CCCNC(=S)NN=CC1=CC=CC=C1C(=O)[O-]	REAL300000052756	0	41	0.0	-74.01	347.07	8.62	-65.39
CC1=C(C(=O)[O-])OC2=C1C(=NNC(=S)NCCC[NH+](C)C)CCC2	REAL300000052757	0	48	0.0	-72.51	390.04	9.71	-62.80
CC(OC1=CC=CC(C=NNC(=S)NCCC[NH+](C)C)=C1)C(=O)[O-]	REAL300000052758	0	48	0.0	-79.36	401.54	9.73	-69.63
C[NH+](C)CCCNC(=S)NN=CC1=CC=CC(OCCC(=O)[O-])=C1	REAL300000052759	0	48	0.0	-75.14	404.80	9.28	-65.86
C[NH+](C)CCCNC(=S)NN=CC1=CC=C(OCC(=O)[O-])C([N+](=O)[O-])=C1	REAL300000052760	0	47	0.0	-88.71	409.80	10.31	-78.40
C[NH+](C)CCCNC(=S)NN=CC1=CC=CC(OCC(=O)[O-])=C1	REAL300000052761	0	45	0.0	-78.67	383.85	9.16	-69.51
COC1=CC=C(C=NNC(=S)NCCC[NH+](C)C)C(OCC(=O)[O-])=C1	REAL300000052762	0	49	0.0	-78.93	412.27	8.46	-70.47
C[NH+](C)CCCNC(=S)NN=CC1=CC=C(OC(F)(F)C(=O)[O-])C=C1	REAL300000052763	0	45	0.0	-70.21	393.09	9.33	-60.88
CN1C(C(=O)[O-])=CC(Br)=C1C=NNC(=S)NCCC[NH+](C)C	REAL300000052764	0	42	0.0	-70.35	371.99	8.79	-61.56
COC1=C2OC(C(=O)[O-])=CC2=C(C=NNC(=S)NCCC[NH+](C)C)C=C1	REAL300000052765	0	48	0.0	-59.79	405.05	9.00	-50.79
C[NH+](C)CCCNC(=S)NN=CC1=C2C=CC(C(=O)[O-])=CC2=NN1	REAL300000052766	0	44	0.0	-76.03	376.62	7.59	-68.44
C[NH+](C)CCCNC(=S)NN=CC1=NNC2=CC(C(=O)[O-])=CC=C21	REAL300000052766	1	44	0.0	-77.70	380.88	7.37	-70.33
C[NH+](C)CCCNC(=S)NN=CC1=CN(CC(=O)[O-])N=N1	REAL300000052767	0	40	0.0	-71.98	350.60	5.62	-66.36
COC1=CC(C=NNC(=S)NCCC[NH+](C)C)=CC=C1OCCC(=O)[O-]	REAL300000052768	0	52	0.0	-73.04	433.97	9.18	-63.86
C[NH+](C)CCCNC(=S)NN=CC1=CC=C(C(=O)[O-])C=C1Cl	REAL300000052769	0	41	0.0	-71.37	361.21	9.60	-61.77
C[NH+](C)CCCNC(=S)NN=CC1=CC=C(O)C(C(=O)[O-])=C1	REAL300000052770	0	42	0.0	-80.31	361.58	6.92	-73.39
CC(OC1=CC=C(C=NNC(=S)NCCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300000052771	0	48	0.0	-76.64	401.68	9.75	-66.89
C[NH+](C)CCCNC(=S)NN=CC1=CN(CC(=O)[O-])C2=CC=CC=C12	REAL300000052772	0	48	0.0	-75.04	406.34	11.18	-63.86
CC1=C(C(=O)[O-])C=C(C=NNC(=S)NCCC[NH+](C)C)N1	REAL300000052773	0	42	0.0	-71.65	358.03	7.11	-64.54
C[NH+](C)CCCNC(=S)NN=CC1=CC=CC(C(=O)[O-])=C1	REAL300000052774	0	41	0.0	-78.87	352.78	8.86	-70.01
CC(=NNC(=S)NCCC[NH+](C)C)C1=CC=CC(OCCCC(=O)[O-])=C1	REAL300000052775	0	54	0.0	-69.08	440.13	10.57	-58.51
CC(CCC1=CC=C(OC(C)C(=O)[O-])C=C1)=NNC(=S)NCCC[NH+](C)C	REAL300000052776	0	57	0.0	-80.54	462.39	11.87	-68.67
CC(CCC1=CC=C(OCC(=O)[O-])C=C1)=NNC(=S)NCCC[NH+](C)C	REAL300000052777	0	54	0.0	-80.17	444.51	11.27	-68.90
CC(=NNC(=S)NCCC[NH+](C)C)C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000052778	0	51	0.0	-66.35	415.55	10.29	-56.06
CC(CCC1=CC=C(OCCC(=O)[O-])C=C1)=NNC(=S)NCCC[NH+](C)C	REAL300000052779	0	57	0.0	-78.09	465.47	11.40	-66.69
CC(=NNC(=S)NCCC[NH+](C)C)C1=CSC(C(=O)[O-])=C1	REAL300000052780	0	41	0.0	-65.80	359.19	8.49	-57.31
C[NH+](C)CCCNC(=S)NN=C1CC(C(=O)[O-])(C2=CC=CC=C2)C1	REAL300000052781	0	48	0.0	-69.42	395.15	10.42	-59.00
CC(=NNC(=S)NCCC[NH+](C)C)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	REAL300000052782	0	53	0.0	-70.41	405.18	10.69	-59.72
CC(CCCCCCC(=O)[O-])=NNC(=S)NCCC[NH+](C)C	REAL300000052783	0	52	0.0	-75.79	418.69	10.47	-65.32
CC1C(=NNC(=S)NCCC[NH+](C)C)CCC1CC(=O)[O-]	REAL300000052784	0	47	0.0	-72.54	375.92	8.95	-63.59
CC1C(=NNC(=S)NCCC[NH+](C)C)CCC(C(=O)[O-])C1(C)C	REAL300000052785	0	53	0.0	-73.47	391.79	9.29	-64.18
CC1CC(C(=O)[O-])CCC1=NNC(=S)NCCC[NH+](C)C	REAL300000052786	0	47	0.0	-73.71	369.03	8.78	-64.93
CC1CC(=NNC(=S)NCCC[NH+](C)C)CCC1C(=O)[O-]	REAL300000052787	0	47	0.0	-75.11	370.90	8.88	-66.23
CC(CC1(C(=O)[O-])CCC1)=NNC(=S)NCCC[NH+](C)C	REAL300000052788	0	47	0.0	-63.31	373.58	8.91	-54.40
CC(=NNC(=S)NCCC[NH+](C)C)C1=C(CC(=O)[O-])C2=CC=C(C)C=C2O1	REAL300000052789	0	53	0.0	-57.05	435.93	11.61	-45.44
CC1=CC(C)=C(C(=O)[O-])C=C1C=NNC(=S)NCCC[NH+](C)C	REAL300000052790	0	47	0.0	-81.71	386.24	10.48	-71.23
C[NH+](C)CCCNC(=S)NN=CC1=CC=CC(C(=O)[O-])=C1Cl	REAL300000052791	0	41	0.0	-65.08	357.21	9.51	-55.57
C[NH+](C)CCCNC(=S)NN=CC1=CC=C(C(=O)[O-])C(F)=C1	REAL300000052792	0	41	0.0	-79.26	357.16	8.88	-70.38
C[NH+](C)CCCNC(=S)NN=CC1=CC=C(C=CC(=O)[O-])O1	REAL300000052793	0	42	0.0	-71.92	371.13	6.77	-65.15
C[NH+](C)CCCNC(=S)NN=CC1=CNC2=CC=C(C(=O)[O-])C=C12	REAL300000052794	0	45	0.0	-58.21	382.36	8.92	-49.29
C[NH+](C)CCCNC(=S)NN=CC1=CC=C(C(=O)[O-])N=C1	REAL300000052795	0	40	0.0	-77.17	348.47	7.08	-70.09
C[NH+](C)CCCNC(=S)NN=CC1=CC=C(C(=O)[O-])C(O)=C1	REAL300000052796	0	42	0.0	-77.39	361.44	6.92	-70.47
CC1=CC=C(C=NNC(=S)NCCC[NH+](C)C)C=C1C(=O)[O-]	REAL300000052797	0	44	0.0	-77.99	368.77	9.41	-68.58
C[NH+](C)CCCNC(=S)NN=CC1=CC(C(=O)[O-])=C(Cl)S1	REAL300000052798	0	38	0.0	-74.43	358.10	8.43	-66.00
C[NH+](C)CCCNC(=S)NN=CC1=CC(Cl)=NC=C1C(=O)[O-]	REAL300000052799	0	40	0.0	-64.78	359.24	7.31	-57.47
CN1N=C(C(=O)[O-])C=C1C=NNC(=S)NCCC[NH+](C)C	REAL300000052800	0	41	0.0	-75.91	355.89	6.48	-69.43
C[NH+](C)CCCNC(=S)NN=CC1=CC=C(C2=CC=C(O)C(C(=O)[O-])=C2)O1	REAL300000052801	0	49	0.0	-68.67	422.70	8.67	-60.00
CN1C=C(C(=O)[O-])C=C1C=NNC(=S)NCCC[NH+](C)C	REAL300000052802	0	42	0.0	-73.28	360.74	8.27	-65.01
CN(C)C1=CC=C(C(=O)[O-])C=C1C=NNC(=S)NCCC[NH+](C)C	REAL300000052803	0	49	0.0	-80.66	404.63	9.73	-70.93
C[NH+](C)CCCNC(=S)NN=CC1=CC=C(C2=CC=CC(C(=O)[O-])=C2)S1	REAL300000052804	0	48	0.0	-72.97	421.31	11.58	-61.39
CCC1=CC(C(=O)[O-])=C(C=NNC(=S)NCCC[NH+](C)C)S1	REAL300000052805	0	44	0.0	-72.55	383.39	9.32	-63.23
COC1=CC=C(C(=O)[O-])C=C1C=NNC(=S)NCCC[NH+](C)C	REAL300000052806	0	45	0.0	-80.13	379.84	8.51	-71.62
C[NH+](C)CCCNC(=S)NN=CC1=CSC2=CC=C(C(=O)[O-])C=C12	REAL300000052807	0	44	0.0	-46.19	379.05	10.23	-35.96
C[NH+](C)CCCNC(=S)NN=CC1=CC(C(=O)[O-])=CC=C1Br	REAL300000052808	0	41	0.0	-71.19	363.50	9.79	-61.40
CC1=CC=C(C=NNC(=S)NCCC[NH+](C)C)C(C(=O)[O-])=C1	REAL300000052809	0	44	0.0	-74.46	368.43	9.29	-65.17
COC1=CC(C=NNC(=S)NCCC[NH+](C)C)=CC=C1C(=O)[O-]	REAL300000052810	0	45	0.0	-81.41	379.92	8.94	-72.47
C[NH+](C)CCCNC(=S)NN=CC1=C(F)C=C(C(=O)[O-])C=C1F	REAL300000052811	0	41	0.0	-65.29	362.57	9.04	-56.25
CC1=C(C(=O)[O-])NC(C=NNC(=S)NCCC[NH+](C)C)=C1	REAL300000052812	0	42	0.0	-68.06	357.83	7.02	-61.04
C[NH+](C)CCCNC(=S)NN=CC1=C(O)C(C(=O)[O-])=CC2=CC=CC=C21	REAL300000052813	0	48	0.0	-65.87	402.14	9.33	-56.54
C[NH+](C)CCCNC(=S)NN=CC1=CC=C(C2=CC=CC(CC(=O)[O-])=C2)C=C1	REAL300000052814	0	54	0.0	-75.83	449.07	13.05	-62.78
C[NH+](C)CCCNC(=S)NN=CC1=C(C(=O)[O-])C=C(Cl)S1	REAL300000052815	0	38	0.0	-68.13	357.07	8.37	-59.76
C[NH+](C)CCCNC(=S)NN=CC1=C(C(=O)[O-])C=CS1	REAL300000052816	0	38	0.0	-72.23	340.05	7.73	-64.50
C[NH+](C)CCCNC(=S)NN=CC1=CSC(C(=O)[O-])=C1	REAL300000052817	0	38	0.0	-75.39	344.58	7.93	-67.46
CCOC1=CC(C=NNC(=S)NCCC[NH+](C)C)=CC=C1OCC(=O)[O-]	REAL300000052818	0	52	0.0	-81.35	434.88	9.82	-71.53
C[NH+](C)CCCNC(=S)NN=CC1=CN(C2CCOCC2)N=C1C(=O)[O-]	REAL300000052819	0	52	0.0	-59.18	418.68	7.98	-51.20
COC1=CC=C(C)C(C=NNC(=S)NCCC[NH+](C)C)=C1C(=O)[O-]	REAL300000052820	0	48	0.0	-81.85	386.87	9.67	-72.18
CN1C2=CC=C(F)C=C2C(C=NNC(=S)NCCC[NH+](C)C)=C1C(=O)[O-]	REAL300000052821	0	48	0.0	-66.17	403.52	10.29	-55.88
C[NH+](C)CCCNC(=S)NN=CC1=CC=C(CCC(=O)[O-])O1	REAL300000052822	0	44	0.0	-67.36	378.61	8.60	-58.76
C[NH+](C)CCCNC(=S)NN=CC1=C(C(=O)[O-])C=C(Br)S1	REAL300000052823	0	38	0.0	-68.10	361.70	8.47	-59.63
C[NH+](C)CCCNC(=S)NN=CC1=CNC2=C(C(=O)[O-])C=CC=C12	REAL300000052824	0	45	0.0	-78.75	380.04	9.07	-69.68
C[NH+](C)CCCNC(=S)NN=CC1=CC=C2OC(C(=O)[O-])=CC2=C1	REAL300000052825	0	44	0.0	-81.51	382.06	9.60	-71.91
C[NH+](C)CCCNC(=S)NN=CC1=CC=CN2C(C(=O)[O-])=CN=C12	REAL300000052826	0	44	0.0	-83.83	377.64	9.15	-74.68
C[NH+](C)CCCNC(=S)NN=CC1=CC=CC(F)=C1C(=O)[O-]	REAL300000052827	0	41	0.0	-78.75	351.60	8.65	-70.10
C[NH+](C)CCCNC(=S)NN=CC1=CC=CC(Br)=C1C(=O)[O-]	REAL300000052828	0	41	0.0	-72.51	363.31	9.11	-63.40
C[NH+](C)CCCNC(=S)NN=CC1=C(C(=O)[O-])C=CC2=C1OCO2	REAL300000052829	0	44	0.0	-70.37	372.27	7.41	-62.96
C[NH+](C)CCCNC(=S)NN=CC1=CC(C#N)=CC=C1C(=O)[O-]	REAL300000052830	0	42	0.0	-64.87	367.80	8.99	-55.88
C[NH+](C)CCCNC(=S)NN=CC1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000052831	0	45	0.0	-76.22	399.83	9.68	-66.54
CC1=NSC(C=NNC(=S)NCCC[NH+](C)C)=C1C(=O)[O-]	REAL300000052832	0	40	0.0	-64.84	351.67	6.96	-57.88
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CC[NH+](CC)CC1=CC(C(C)=NNC(=O)NC2=CC=C(C(=O)[O-])C=C2)=CC=C1O	REAL300000054771	0	55	0.0	-79.53	427.28	7.82	-71.71
COC1=[NH+]C(N)=NC(N2CCCC2)=C1C=NNC(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300000055097	1	50	0.0	-76.34	411.99	5.92	-70.42
O=C([O-])C1=CC=C(NC(=O)NN=C2CC[N@H+](CC3=CC=CC=C3)C2)C=C1	REAL300000055207	1	46	0.0	-91.26	378.85	9.12	-82.14
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CC(=NNC(=O)NC1=CC=C(C(=O)[O-])C=C1)C1=CC=CC(OCC[NH+](C)C)=C1	REAL300000055419	0	52	0.0	-79.68	418.57	9.19	-70.49
CC(=NNC(=O)NC1=CC=C(C(=O)[O-])C=C1)C1=CC=C(OCC[NH+](C)C)C=C1	REAL300000055452	0	52	0.0	-84.30	418.72	9.17	-75.13
CC(C)(C)[NH+]1CCC(=NNC(=O)NC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300000055467	0	48	0.0	-83.34	361.81	7.66	-75.68
CC1CC(=NNC(=O)NC2=CC=C(C(=O)[O-])C=C2)CC[N@@H+]1C	REAL300000055609	0	42	0.0	-86.81	326.72	6.47	-80.34
CC1CC(=NNC(=O)NC2=CC=C(C(=O)[O-])C=C2)CC[N@H+]1C	REAL300000055609	1	42	0.0	-86.81	326.72	6.47	-80.34
CC1CC(=NNC(=O)NC2=CC=C(C(=O)[O-])C=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300000055626	0	52	0.0	-88.27	402.73	10.05	-78.22
CC1CC(=NNC(=O)NC2=CC=C(C(=O)[O-])C=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300000055626	1	52	0.0	-88.27	402.73	10.05	-78.22
CC1CCCCC1[NH+]1CCC(=NNC(=O)NC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300000055636	0	55	0.0	-85.92	404.63	9.74	-76.18
CC1CCCC([NH+]2CCC(=NNC(=O)NC3=CC=C(C(=O)[O-])C=C3)CC2)C1	REAL300000055650	0	55	0.0	-86.79	411.07	9.95	-76.84
CC1C[N@H+](CC2=CC=CC=N2)CCC1=NNC(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300000055673	0	51	0.0	-87.73	403.45	9.07	-78.66
CCOCCC[N@@H+]1CCC(=NNC(=O)NC2=CC=C(C(=O)[O-])C=C2)C(C)C1	REAL300000055691	0	55	0.0	-88.99	426.09	8.35	-80.64
CCOCCC[N@H+]1CCC(=NNC(=O)NC2=CC=C(C(=O)[O-])C=C2)C(C)C1	REAL300000055691	1	55	0.0	-88.99	426.09	8.35	-80.64
CC[N@@H+]1CCC(=NNC(=O)NC2=CC=C(C(=O)[O-])C=C2)C(C)C1	REAL300000055704	0	45	0.0	-85.30	349.08	7.57	-77.73
CC[N@H+]1CCC(=NNC(=O)NC2=CC=C(C(=O)[O-])C=C2)C(C)C1	REAL300000055704	1	45	0.0	-85.30	349.08	7.57	-77.73
C[N@H+](CC1=CC=CC=C1)CC(C)(C)C=NNC(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300000055760	0	54	0.0	-87.95	422.42	10.73	-77.22
C[N@@H+](CC1=CC=CC=C1)CC(C)(C)C=NNC(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300000055760	1	54	0.0	-87.95	422.42	10.73	-77.22
O=C([O-])C1=CC=C(NC(=O)NN=C2CCCCC2[NH+]2CCCCCC2)C=C1	REAL300000055772	0	55	0.0	-80.24	396.29	9.92	-70.32
CC1CC(C)C[NH+](C2CCCCC2=NNC(=O)NC2=CC=C(C(=O)[O-])C=C2)C1	REAL300000055777	0	58	0.0	-81.29	427.90	10.61	-70.68
CC1CN(CC2=CC=CC=C2)CC1=NNC(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300000055809	0	49	0.0	-90.61	398.66	9.66	-80.95
CC1C[N@H+](CC2=CC=CC=C2)CC1=NNC(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300000055809	1	49	0.0	-90.55	398.67	9.66	-80.89
CC1C[N@@H+](CC2=CC=CC=C2)CC1=NNC(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300000055809	1	49	0.0	-90.55	398.67	9.66	-80.89
O=C([O-])C1=CC=C(NC(=O)NN=C2CCCCC2[NH+]2CCCCC2)C=C1	REAL300000055830	0	52	0.0	-80.54	385.83	9.43	-71.11
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CC1CC(=NNC(=O)NC2=CC=C(C(=O)[O-])C=C2)CN1C1CC1	REAL300000055834	0	43	0.0	-81.90	346.15	7.25	-74.65
CC1CC(=NNC(=O)NC2=CC=C(C(=O)[O-])C=C2)C[N@@H+]1C1CC1	REAL300000055834	1	43	0.0	-82.09	346.46	7.19	-74.90
CC1CC(=NNC(=O)NC2=CC=C(C(=O)[O-])C=C2)C[N@H+]1C1CC1	REAL300000055834	1	43	0.0	-82.09	346.46	7.19	-74.90
CN1CCN(C2=NC=C(C=NNC(=O)NC3=CC=C(C(=O)[O-])C=C3)C=N2)CC1	REAL300000055839	0	49	0.0	-85.04	403.11	7.57	-77.47
C[NH+]1CCN(C2=NC=C(C=NNC(=O)NC3=CC=C(C(=O)[O-])C=C3)C=N2)CC1	REAL300000055839	1	49	0.0	-85.04	403.11	7.57	-77.47
CC(C)[N@H+]1CC(=NNC(=O)NC2=CC=C(C(=O)[O-])C=C2)C(C)C1	REAL300000055840	0	45	0.0	-83.12	357.73	7.30	-75.82
CC1CN(C2CC2)CC1=NNC(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300000055868	0	43	0.0	-82.81	351.42	7.50	-75.31
CC1C[N@@H+](C2CC2)CC1=NNC(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300000055868	1	43	0.0	-82.86	351.45	7.51	-75.35
CC1C[N@H+](C2CC2)CC1=NNC(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300000055868	1	43	0.0	-82.86	351.45	7.51	-75.35
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1=NNC(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300000055886	0	55	0.0	-88.20	427.49	11.07	-77.13
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CC1CCC(=NNC(=O)NC2=CC=C(C(=O)[O-])C=C2)C[N@@H+]1CC1=CC=CC=C1	REAL300000057853	1	52	0.0	-87.13	401.86	10.05	-77.08
CC1CCC(=NNC(=O)NC2=CC=C(C(=O)[O-])C=C2)C[N@H+]1CC1=CC=CC=C1	REAL300000057853	1	52	0.0	-87.13	409.16	10.35	-76.78
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CC1=CC(C)=C(N[NH+]=CC2=CC(C(=O)[O-])=CC=C2N(C)C)C(C)=C1	REAL300000059171	1	47	0.0	-48.34	375.20	12.08	-36.26
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CC1=CC=C(C[NH+]2CCN(CC(=O)NN=CC3=CC=CC(C(=O)[O-])=C3)CC2)C=C1	REAL300000062946	1	55	0.0	-78.38	440.60	9.70	-68.68
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CC1=CC=C(C[NH+]2CCN(CC(=O)NN=CC3=CC=C(C(=O)[O-])N=C3)CC2)C=C1	REAL300000062948	1	54	0.0	-87.83	436.29	7.94	-79.89
CC1=CC=C(C[NH+]2CCN(CC(=O)NN=CC3=CC(C(=O)[O-])=NN3C)CC2)C=C1	REAL300000062949	1	55	0.0	-89.98	444.15	7.33	-82.65
CC1=CC=C(C[NH+]2CCN(CC(=O)NN=CC3=CC(C(=O)[O-])=CN3C)CC2)C=C1	REAL300000062950	1	56	0.0	-89.52	449.01	9.13	-80.39
CC1=CC=C(C[NH+]2CCN(CC(=O)NN=CC3=CC(C(=O)[O-])=CO3)CC2)C=C1	REAL300000062951	1	52	0.0	-80.91	423.96	7.71	-73.20
CC1=C(C(=O)[O-])NC(C=NNC(=O)CN2CC[NH+](CC3=CC=C(C)C=C3)CC2)=C1	REAL300000062952	1	56	0.0	-84.45	445.65	7.86	-76.59
CC(=NNC(N)=[NH2+])C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300000063304	0	46	0.0	-65.44	379.09	5.38	-60.06
NC(=[NH2+])NN=CC1=CC(Br)=CC=C1OCC(=O)[O-]	REAL300000063305	0	29	0.0	-36.77	273.12	6.09	-30.68
NC(=[NH2+])NN=CC1=CC=CC(OCC2=CC=CC=C2C(=O)[O-])=C1	REAL300000063306	0	39	0.0	-70.11	331.88	8.11	-62.00
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NC(=[NH2+])NN=CC1=CC=CC(OCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000063308	0	39	0.0	-72.44	339.09	8.12	-64.32
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NC(=[NH2+])NN=CC1=CC=C(OCCN2C=C(C(=O)[O-])N=N2)C(Cl)=C1	REAL300000063310	0	38	0.0	-72.15	354.48	5.28	-66.87
COC1=CC(C=NNC(N)=[NH2+])=C([N+](=O)[O-])C=C1OCC(=O)[O-]	REAL300000063311	0	35	0.0	-72.00	310.46	5.26	-66.74
CN(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1C=NNC(N)=[NH2+]	REAL300000063312	0	36	0.0	-49.54	319.41	6.14	-43.40
CC(CCC1=CC=C(OCC2=CC=CC(C(=O)[O-])=C2)C=C1)N=NC(N)=[NH2+]	REAL300000063313	0	48	0.0	-75.27	403.02	9.23	-66.04
CCC(=NNC(N)=[NH2+])C1=CC=C(OCCCCC(=O)[O-])C=C1	REAL300000063314	0	44	0.0	-64.37	357.93	8.08	-56.29
COC1=CC(C(C)=NNC(N)=[NH2+])=CC=C1OCCCC(=O)[O-]	REAL300000063315	0	42	0.0	-71.70	344.31	6.47	-65.23
CC(=NNC(N)=[NH2+])C1=CC(Br)=CC=C1OCC(=O)[O-]	REAL300000063316	0	32	0.0	-49.34	298.33	6.30	-43.04
NC(=[NH2+])NN=CC1=CC=CC(OC(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300000063317	0	39	0.0	-68.46	336.80	8.80	-59.66
COC1=CC(C=NNC(N)=[NH2+])=CC(Cl)=C1OC(C)C(=O)[O-]	REAL300000063318	0	36	0.0	-76.28	324.41	6.32	-69.96
NC(=[NH2+])NN=CC1=CC(C(=O)[O-])=CC(Br)=C1O	REAL300000063319	0	26	0.0	-61.20	256.81	3.03	-58.17
COC1=CC(Br)=CC(C=NNC(N)=[NH2+])=C1OCC(=O)[O-]	REAL300000063320	0	33	0.0	-42.00	302.88	6.07	-35.93
NC(=[NH2+])NN=CC1=CC=C(OCC2=CC=C(C(=O)[O-])O2)C=C1	REAL300000063321	0	36	0.0	-73.29	321.86	6.60	-66.69
NC(=[NH2+])NN=CC1=CC(I)=CC(C(=O)[O-])=C1	REAL300000063322	0	25	0.0	-61.37	255.57	5.92	-55.45
NC(=[NH2+])NN=CC1=CC=CC=C1OCC1=CC=C(C(=O)[O-])O1	REAL300000063323	0	36	0.0	-50.53	318.80	6.97	-43.56
CC[NH+](CC)CC1=CC(C(C)=NNC2=CC=C(C(=O)[O-])C=C2OC)=CC=C1O	REAL300000065626	0	55	0.0	-69.66	417.49	8.75	-60.91
COC1=CC(C(=O)[O-])=CC=C1NN=C(C)C1=CC=C(O)C(C[NH+]2CCCCC2)=C1	REAL300000065628	0	56	0.0	-70.28	434.91	9.36	-60.92
COC1=CC=C(C(C)=NNC2=CC=C(C(=O)[O-])C=C2OC)C=C1C[NH+]1CCCC1	REAL300000065837	0	56	0.0	-67.82	437.83	10.67	-57.15
COC1=CC(C(=O)[O-])=CC=C1NN=CC1=C(OC)[NH+]=C(N)N=C1N1CCCC1	REAL300000065948	1	50	0.0	-68.26	406.06	6.74	-61.52
COC1=CC(C(=O)[O-])=CC=C1N=NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300000066055	0	46	0.0	-71.09	372.27	8.75	-62.34
COC1=CC(C(=O)[O-])=CC=C1N=NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300000066055	1	46	0.0	-71.24	374.64	8.87	-62.37
COC1=CC(C(=O)[O-])=CC=C1NN=CC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300000066107	0	53	0.0	-69.43	426.07	9.25	-60.18
COC1=CC(C(=O)[O-])=CC=C1N=NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300000066107	1	53	0.0	-69.43	426.07	9.25	-60.18
COC1=CC(C(=O)[O-])=CC=C1N=NCC1=C2C=CC=CN2C(C)=N1	REAL300000066108	0	40	0.0	-60.21	344.57	8.09	-52.12
COC1=CC(C(=O)[O-])=CC=C1N=NCC1=C2C=CC=CN2C(C)=[NH+]1	REAL300000066108	1	40	0.0	-60.21	344.57	8.09	-52.12
CC[N@@H+]1CCCC1CN1C(C)=CC(CN=NC2=CC=C(C(=O)[O-])C=C2OC)=C1C	REAL300000066111	0	59	0.0	-74.34	451.00	10.41	-63.93
CC[N@H+]1CCCC1CN1C(C)=CC(CN=NC2=CC=C(C(=O)[O-])C=C2OC)=C1C	REAL300000066111	1	59	0.0	-74.34	451.00	10.41	-63.93
COC1=CC(C(=O)[O-])=CC=C1NN=CC1=CC=C(OCC[NH+](C)C)C=C1	REAL300000066163	0	49	0.0	-71.00	400.78	8.15	-62.85
COC1=CC(C(=O)[O-])=CC=C1N=NCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300000066163	1	49	0.0	-71.00	400.78	8.15	-62.85
COC1=CC(C(=O)[O-])=CC=C1N=NCC1=CC=CC=C1N(C)C1CC[NH+](C)CC1	REAL300000066178	0	57	0.0	-63.00	436.05	11.35	-51.65
COC1=CC(C(=O)[O-])=CC=C1NN=CC1=CC=CC=C1N(C)C1CC[NH+](C)CC1	REAL300000066178	1	57	0.0	-63.00	436.05	11.35	-51.65
COC1=CC(C(=O)[O-])=CC=C1NN=CC1=CC=C(N2CCN(C)CC2)C(F)=C1	REAL300000066209	0	51	0.0	-84.42	412.99	9.08	-75.34
COC1=CC(C(=O)[O-])=CC=C1NN=CC1=CC=C(N2CC[NH+](C)CC2)C(F)=C1	REAL300000066209	1	51	0.0	-84.42	412.99	9.08	-75.34
COC1=CC(C(=O)[O-])=CC=C1NN=C(C)C1=CC=CC(OCC[NH+](C)C)=C1	REAL300000066255	0	52	0.0	-71.66	420.43	8.99	-62.67
COC1=CC(C(=O)[O-])=CC=C1N=NC(C)C1=CC=CC(OCC[NH+](C)C)=C1	REAL300000066255	1	52	0.0	-71.66	420.43	8.99	-62.67
COC1=CC(C(=O)[O-])=CC=C1NN=C(C)C1=CC=C(O)C(CN2CCOCC2)=C1	REAL300000066257	0	54	0.0	-73.29	426.26	6.96	-66.33
COC1=CC(C(=O)[O-])=CC=C1NN=C(C)C1=CC=C(O)C(C[NH+]2CCOCC2)=C1	REAL300000066257	1	54	0.0	-73.29	426.26	6.96	-66.33
COC1=CC(C(=O)[O-])=CC=C1NN=C(C)C1=CC=C(OCC[NH+](C)C)C=C1	REAL300000066289	0	52	0.0	-80.72	412.92	9.93	-70.79
COC1=CC(C(=O)[O-])=CC=C1N=NC(C)C1CN(CC2=CC=CC=C2)CCO1	REAL300000066529	0	53	0.0	-67.18	422.32	8.83	-58.35
COC1=CC(C(=O)[O-])=CC=C1N=NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300000066529	1	53	0.0	-67.03	412.03	8.31	-58.72
COC1=CC(C(=O)[O-])=CC=C1N=NC(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300000066529	1	53	0.0	-67.03	412.03	8.31	-58.72
COC1=CC(C(=O)[O-])=CC=C1N=NCC(C)(C)C[N@H+](C)CC1=CC=CC=C1	REAL300000066580	0	54	0.0	-74.55	416.37	10.49	-64.06
COC1=CC(C(=O)[O-])=CC=C1N=NCC(C)(C)C[N@@H+](C)CC1=CC=CC=C1	REAL300000066580	1	54	0.0	-74.55	416.37	10.49	-64.06
COC1=CC(C(=O)[O-])=CC=C1N=NC1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300000066617	0	49	0.0	-72.09	394.40	9.46	-62.63
COC1=CC(C(=O)[O-])=CC=C1N=NC1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300000066617	1	49	0.0	-72.09	394.40	9.46	-62.63
COC1=CC(C(=O)[O-])=CC=C1N=NC1CC(C)[N@@H+](C2CC2)C1	REAL300000066641	0	43	0.0	-64.81	342.61	7.11	-57.70
COC1=CC(C(=O)[O-])=CC=C1N=NC1CC(C)[N@H+](C2CC2)C1	REAL300000066641	1	43	0.0	-64.81	342.61	7.11	-57.70
COC1=CC(C(=O)[O-])=CC=C1NN=CC1=CN=C(N2CCN(C)CC2)N=C1	REAL300000066646	0	49	0.0	-79.71	397.25	8.36	-71.35
COC1=CC(C(=O)[O-])=CC=C1NN=CC1=CN=C(N2CC[NH+](C)CC2)N=C1	REAL300000066646	1	49	0.0	-79.71	397.25	8.36	-71.35
COC1=CC(C(=O)[O-])=CC=C1N=NC1C[N@@H+](C(C)C)CC1C	REAL300000066647	0	45	0.0	-64.22	352.00	7.34	-56.88
COC1=CC(C(=O)[O-])=CC=C1N=NC1C[N@H+](C(C)C)CC1C	REAL300000066647	1	45	0.0	-64.22	352.00	7.34	-56.88
COC1=CC(C(=O)[O-])=CC=C1N=NC1C[N@@H+](C2CC2)CC1C	REAL300000066673	0	43	0.0	-64.98	347.49	7.28	-57.70
COC1=CC(C(=O)[O-])=CC=C1N=NC1C[N@H+](C2CC2)CC1C	REAL300000066673	1	43	0.0	-64.98	347.49	7.28	-57.70
COC1=CC(C(=O)[O-])=CC=C1N=NC1C(C)C[NH+](CC2=CC=CC=C2)CC1C	REAL300000066691	0	55	0.0	-70.26	422.94	11.19	-59.07
COC1=CC(C(=O)[O-])=CC=C1N=NC1CC(C)[N@H+](CC2=CC=CC=C2)C1	REAL300000066730	0	49	0.0	-69.42	395.33	9.52	-59.90
COC1=CC(C(=O)[O-])=CC=C1N=NC(C)CCCC[NH+](C)C	REAL300000066868	0	47	0.0	-67.51	375.04	7.92	-59.59
COC1=CC(C(=O)[O-])=CC=C1N=NCC1=CC=C(N2CC[NH+](C)CC2)C=C1	REAL300000066900	0	51	0.0	-80.15	402.95	8.78	-71.37
COC1=CC(C(=O)[O-])=CC=C1NN=CC1=CC=C(N2CC[NH+](C)CC2)C=C1	REAL300000066900	1	51	0.0	-80.15	402.95	8.78	-71.37
COC1=CC(C(=O)[O-])=CC=C1NN=CC1=C[NH+]=CC=C1N(C)C	REAL300000066911	0	41	0.0	-66.65	344.70	4.92	-61.73
COC1=CC(C(=O)[O-])=CC=C1N=NCC1=C[NH+]=CC=C1N(C)C	REAL300000066911	1	41	0.0	-66.65	344.70	4.92	-61.73
COC1=CC(C(=O)[O-])=CC=C1N=NC1C[N@H+](CC2=CC=CC=C2)CCC1C	REAL300000066915	0	52	0.0	-65.44	402.46	10.16	-55.28
CCC1=NC(CN=NC2=CC=C(C(=O)[O-])C=C2OC)=C2C=CC=CN12	REAL300000066942	0	43	0.0	-59.28	365.62	8.68	-50.60
CCC1=[NH+]C(CN=NC2=CC=C(C(=O)[O-])C=C2OC)=C2C=CC=CN12	REAL300000066942	1	43	0.0	-59.28	365.62	8.68	-50.60
COC1=CC(C(=O)[O-])=CC=C1N=NCC1=C2C=CC=CN2C(C(C)C)=N1	REAL300000066944	0	46	0.0	-57.77	384.36	9.26	-48.51
COC1=CC(C(=O)[O-])=CC=C1N=NCC1=C2C=CC=CN2C(C(C)C)=[NH+]1	REAL300000066944	1	46	0.0	-57.77	384.36	9.26	-48.51
COC1=CC(C(=O)[O-])=CC=C1N=NC1CC(C)C[N@H+](CC2=CC=CC=C2)C1	REAL300000067031	0	52	0.0	-73.19	411.34	10.09	-63.10
COC1=CC(C(=O)[O-])=CC=C1N=NC1CC(C)C[N@@H+](CC2=CC=CC=C2)C1	REAL300000067031	1	52	0.0	-71.48	408.97	10.42	-61.06
COC1=CC(C(=O)[O-])=CC=C1N=NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300000067061	0	52	0.0	-69.19	412.48	10.37	-58.82
COC1=CC(C(=O)[O-])=CC=C1N=NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300000067061	1	52	0.0	-69.40	413.72	10.16	-59.24
COC1=CC(C(=O)[O-])=CC=C1N=NC(C)C[NH+]1CCCCCC1	REAL300000067163	0	48	0.0	-64.31	361.01	7.87	-56.44
COC1=CC(C(=O)[O-])=CC=C1NN=C1CCCC2=[NH+]C(N)=CC=C12	REAL300000067404	0	42	0.0	-73.46	341.70	6.74	-66.72
COC1=CC(C(=O)[O-])=CC=C1N=NCC(C)(C[NH+](C)C)C1=CC=CC=C1	REAL300000067485	0	51	0.0	-56.37	388.58	10.21	-46.16
COC1=CC(C(=O)[O-])=CC=C1N=NC(C)C1CC[NH+](C)CC1	REAL300000067489	0	45	0.0	-70.68	351.74	7.31	-63.37
COC1=CC(C(=O)[O-])=CC=C1N=NC1CCC[N@H+](CC2=CC=CC=C2)C1C	REAL300000067507	0	52	0.0	-69.01	403.69	10.41	-58.60
COC1=CC(C(=O)[O-])=CC=C1N=NC1CCC[N@@H+](CC2=CC=CC=C2)C1C	REAL300000067507	1	52	0.0	-69.05	403.65	10.42	-58.63
COC1=CC(C(=O)[O-])=CC=C1NN=C(C)C1=CC=C(N)[NH+]=C1	REAL300000067516	1	38	0.0	-76.74	318.03	5.66	-71.08
COC1=CC(C(=O)[O-])=CC=C1NN=C(C)C1=CC=C(C[NH+](C)C)C=C1	REAL300000067590	0	48	0.0	-80.76	383.08	10.15	-70.61
COC1=CC(C(=O)[O-])=CC=C1N=NC(C)C1=CC=C(C[NH+](C)C)C=C1	REAL300000067590	1	48	0.0	-72.13	390.57	9.21	-62.92
COC1=CC(C(=O)[O-])=CC=C1NN=C(C)C1=CC=CC(C[NH+](C)C)=C1	REAL300000067592	0	48	0.0	-72.94	383.16	10.15	-62.79
COC1=CC(C(=O)[O-])=CC=C1N=NC(C)C1=CC=CC(C[NH+](C)C)=C1	REAL300000067592	1	48	0.0	-72.79	390.56	9.22	-63.57
COCC[NH+]1C2CCC1CC(N=NC1=CC=C(C(=O)[O-])C=C1OC)C2	REAL300000067595	0	50	0.0	-65.92	368.99	7.20	-58.72
COC1=CC(C(=O)[O-])=CC=C1N=NC1CC[N@H+](CC2=CC=CC=C2)C1C	REAL300000067644	0	49	0.0	-70.09	391.31	9.67	-60.42
COC1=CC(C(=O)[O-])=CC=C1N=NC1CC[N@@H+](CC2=CC=CC=C2)C1C	REAL300000067644	1	49	0.0	-69.15	389.95	9.20	-59.95
COC1=CC(C(=O)[O-])=CC=C1NN=C1C(=O)N(CC[NH+](C)C)C2=CC=CC=C21	REAL300000067650	0	50	0.0	-80.28	408.00	9.71	-70.57
COC1=CC(C(=O)[O-])=CC=C1NN=CC1=CC=C[NH+]=C1N(C)C	REAL300000067670	1	41	0.0	-73.79	341.24	8.09	-65.70
COC1=CC(C(=O)[O-])=CC=C1N=NCC1=NOC(C[NH+](C)C)=C1	REAL300000067676	1	41	0.0	-77.98	347.12	5.92	-72.06
COC1=CC(C(=O)[O-])=CC=C1N=NC1CC[N@H+](C2CC2)C(C2=CC=CC=C2)C1	REAL300000067692	0	53	0.0	-68.51	406.60	9.96	-58.55
COC1=CC(C(=O)[O-])=CC=C1N=NC1CC[N@@H+](C2CC2)C(C2=CC=CC=C2)C1	REAL300000067692	1	53	0.0	-62.98	401.12	10.16	-52.82
COC1=CC(C(=O)[O-])=CC=C1N=NC1CC[NH+](CCO)CC1	REAL300000067748	0	43	0.0	-70.60	342.01	3.39	-67.21
COC1=CC(C(=O)[O-])=CC=C1N=NC1CC2(CC[NH+](C)CC2)OC1C	REAL300000067778	0	50	0.0	-70.46	384.16	7.23	-63.23
COC1=CC(C(=O)[O-])=CC=C1N=NC1CCC[N@@H+]2CCCCC12	REAL300000067801	0	46	0.0	-68.61	354.00	7.75	-60.86
COC1=CC(C(=O)[O-])=CC=C1N=NC1CCC[N@H+]2CCCCC12	REAL300000067801	1	46	0.0	-68.62	354.01	7.75	-60.87
COC1=CC(C(=O)[O-])=CC=C1N=NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300000067821	0	52	0.0	-65.85	405.26	9.56	-56.29
COC1=CC(C(=O)[O-])=CC=C1N=NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300000067821	1	52	0.0	-66.02	406.60	9.59	-56.43
COC1=CC(C(=O)[O-])=CC=C1N=NC1CCC(C2=[NH+]C=CN2C)C1	REAL300000067921	1	44	0.0	-63.89	358.42	7.98	-55.91
COC1=CC(C(=O)[O-])=CC=C1N=NCC1=CC=NN1C1=CC=[NH+]C=C1	REAL300000067929	1	40	0.0	-67.66	347.18	6.05	-61.61
COC1=CC(C(=O)[O-])=CC=C1N=NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300000067967	0	52	0.0	-73.01	410.93	10.18	-62.83
COC1=CC(C(=O)[O-])=CC=C1NN=CC1=C(C)C=C[NH+]=C1N	REAL300000068049	1	38	0.0	-69.85	314.78	6.26	-63.59
COC1=CC(C(=O)[O-])=CC=C1N=NC1CCC(C)([NH+](C)C)CC1	REAL300000068061	0	48	0.0	-65.35	351.13	7.36	-57.99
COC1=CC(C(=O)[O-])=CC=C1N=NC1CCC[N@@H+]2CCSCC12	REAL300000068104	1	44	0.0	-69.25	350.94	7.73	-61.52
COC1=CC(C(=O)[O-])=CC=C1N=NC1CCC[N@H+]2CCSCC12	REAL300000068104	1	44	0.0	-69.21	350.92	7.73	-61.48
COC1=CC(C(=O)[O-])=CC=C1N=NC1CC[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]12	REAL300000068165	0	53	0.0	-66.78	413.03	10.96	-55.82
COC1=CC(C(=O)[O-])=CC=C1N=NC1CC[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]12	REAL300000068165	1	53	0.0	-74.73	413.77	10.43	-64.30
COC1=CC(C(=O)[O-])=CC=C1N=NC1CC2CCC[N@H+](C2)C1	REAL300000068188	0	43	0.0	-72.34	328.52	6.61	-65.73
COC1=CC(C(=O)[O-])=CC=C1N=NC1CC2CCC[N@@H+](C2)C1	REAL300000068188	1	43	0.0	-68.65	328.52	6.62	-62.03
COC1=CC(C(=O)[O-])=CC=C1N=NC1CCC(C)[N@H+](CC2=CC=CC=C2)C1	REAL300000068434	0	52	0.0	-71.10	400.46	9.69	-61.41
COC1=CC(C(=O)[O-])=CC=C1N=NC1CCC(C)[N@@H+](CC2=CC=CC=C2)C1	REAL300000068434	1	52	0.0	-69.69	407.24	10.00	-59.69
COC1=CC(C(=O)[O-])=CC=C1NN=CC1=CC=C(CC[NH+](C)C)C=C1	REAL300000068483	0	48	0.0	-80.44	391.76	10.45	-69.99
COC1=CC(C(=O)[O-])=CC=C1N=NCC1=CC=C(CC[NH+](C)C)C=C1	REAL300000068483	1	48	0.0	-73.34	393.39	9.22	-64.12
COC1=CC(C(=O)[O-])=CC=C1N=NC1CCC[C@H]2C[N@H+](C)C[C@H]21	REAL300000068574	0	46	0.0	-69.20	350.75	7.28	-61.92
COC1=CC(C(=O)[O-])=CC=C1N=NC1CCC[C@H]2C[N@@H+](C)C[C@H]21	REAL300000068574	1	46	0.0	-74.72	348.10	7.35	-67.37
COC1=CC(C(=O)[O-])=CC=C1N=NC1CCC2CCC(C1)[N@@H+]2CC1=CC=CC=C1	REAL300000068813	0	56	0.0	-69.87	418.77	10.89	-58.98
COC1=CC(C(=O)[O-])=CC=C1N=NC1CCC2CCC(C1)[N@H+]2CC1=CC=CC=C1	REAL300000068813	1	56	0.0	-69.90	418.84	10.91	-58.99
CC1C[NH+]=C(NN=CC2=CC(Br)=CC=C2OCC(=O)[O-])N1	REAL300000070782	1	36	0.0	-34.47	319.70	8.16	-26.31
CC1C[NH+]=C(NN=CC2=CC=CC(OCC3=CC=CC=C3C(=O)[O-])=C2)N1	REAL300000070783	0	46	0.0	-65.31	379.92	10.16	-55.15
CC1C[NH+]=C(NN=CC2=CC=C(OCC(=O)[O-])C([N+](=O)[O-])=C2)N1	REAL300000070784	1	38	0.0	-76.15	332.84	8.36	-67.79
CC1=C(C(=O)[O-])OC(COC2=CC=C(C=NNC3=[NH+]CC(C)N3)C=C2)=C1	REAL300000070785	0	46	0.0	-69.79	387.86	9.24	-60.55
CC1C[NH+]=C(NN=CC2=CC=CC(OCC3=CC=CC(C(=O)[O-])=C3)=C2)N1	REAL300000070786	0	46	0.0	-68.00	387.12	10.17	-57.83
COC1=CC=C(C=NNC2=[NH+]CC(C)N2)C(OCC(=O)[O-])=C1	REAL300000070787	1	40	0.0	-40.57	329.61	6.86	-33.71
CC1C[NH+]=C(NN=CC2=CC=C(OC(F)(F)C(=O)[O-])C=C2)N1	REAL300000070788	0	36	0.0	-58.59	316.14	7.35	-51.24
CC1C[NH+]=C(NN=CC2=C(Br)C=C(C(=O)[O-])N2C)N1	REAL300000070789	1	33	0.0	-57.95	296.27	6.79	-51.16
CC1C[NH+]=C(NN=CC2=CC=C(OCC(=O)[O-])C(Br)=C2)N1	REAL300000070790	1	36	0.0	-63.85	327.25	7.83	-56.02
CC1C[NH+]=C(NN=CC2=CC=C(OCCN3C=C(C(=O)[O-])N=N3)C(Cl)=C2)N1	REAL300000070792	1	45	0.0	-67.64	402.51	7.33	-60.31
CC1C[NH+]=C(NN=CC2=CC(C(F)(F)F)=CC=C2N(C)CC(=O)[O-])N1	REAL300000070794	1	43	0.0	-46.29	366.85	8.16	-38.13
COC1=CC(C=NNC2=[NH+]CC(C)N2)=CC=C1OCCC(=O)[O-]	REAL300000070795	1	43	0.0	-62.09	357.03	7.22	-54.87
CC(=NNC1=[NH+]CC(C)N1)C1=CC=CC(OCCCC(=O)[O-])=C1	REAL300000070796	0	45	0.0	-59.07	363.18	8.62	-50.45
CC(CCC1=CC=C(OC(C)C(=O)[O-])C=C1)=NNC1=[NH+]C(C)CN1	REAL300000070797	0	48	0.0	-65.79	383.92	9.80	-55.99
CC(CCC1=CC=C(OCC(=O)[O-])C=C1)=NNC1=[NH+]C(C)CN1	REAL300000070798	0	45	0.0	-64.76	366.04	9.21	-55.55
CC(=NNC1=[NH+]CC(C)N1)C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000070799	0	42	0.0	-58.01	338.42	8.31	-49.70
CC(CCC1=CC=C(OCCC(=O)[O-])C=C1)=NNC1=[NH+]C(C)CN1	REAL300000070800	0	48	0.0	-60.90	386.99	9.33	-51.57
CC(CCC1=CC=C(OCC2=CC=CC(C(=O)[O-])=C2)C=C1)=NNC1=[NH+]C(C)CN1	REAL300000070801	0	55	0.0	-71.46	448.03	12.27	-59.19
CCC(=NNC1=[NH+]CC(C)N1)C1=CC=C(OCCCCC(=O)[O-])C=C1	REAL300000070802	0	51	0.0	-59.97	406.11	10.12	-49.85
COC1=CC(C(C)=NNC2=[NH+]CC(C)N2)=CC=C1OCCCC(=O)[O-]	REAL300000070803	0	49	0.0	-67.12	392.35	8.52	-58.60
CC(=NNC1=[NH+]CC(C)N1)C1=CC(Br)=CC=C1OCC(=O)[O-]	REAL300000070804	1	39	0.0	-46.27	346.35	8.36	-37.91
CC(=NNC1=[NH+]CC(C)N1)C1=C(CC(=O)[O-])C2=CC=C(C)C=C2O1	REAL300000070805	1	44	0.0	-45.88	360.09	9.63	-36.25
CC1C[NH+]=C(NN=CC2=CC=CC(OC(C(=O)[O-])C3=CC=CC=C3)=C2)N1	REAL300000070806	0	46	0.0	-63.59	384.64	10.84	-52.75
COC1=CC(C=NNC2=[NH+]CC(C)N2)=CC(Cl)=C1OC(C)C(=O)[O-]	REAL300000070807	1	43	0.0	-71.50	372.44	8.37	-63.13
CC1C[NH+]=C(NN=CC2=CSC3=CC=C(C(=O)[O-])C=C23)N1	REAL300000070810	1	35	0.0	-49.68	307.26	8.39	-41.29
CC1C[NH+]=C(NN=CC2=CC(C(=O)[O-])=CC=C2Br)N1	REAL300000070811	1	32	0.0	-53.34	287.19	7.84	-45.50
COC1=CC(Br)=CC(C=NNC2=[NH+]CC(C)N2)=C1OCC(=O)[O-]	REAL300000070813	1	40	0.0	-40.40	351.41	8.10	-32.30
CC1C[NH+]=C(NN=CC2=CC=C(OCC3=CC=C(C(=O)[O-])O3)C=C2)N1	REAL300000070814	0	43	0.0	-68.92	369.90	8.65	-60.27
CC1C[NH+]=C(NN=CC2=CC(I)=CC(C(=O)[O-])=C2)N1	REAL300000070815	1	32	0.0	-56.72	303.59	7.98	-48.74
CC1C[NH+]=C(NN=CC2=CC=C(C3=CC=CC(CC(=O)[O-])=C3)C=C2)N1	REAL300000070817	1	45	0.0	-64.34	372.13	11.08	-53.26
CCOC1=CC(C=NNC2=[NH+]CC(C)N2)=CC=C1OCC(=O)[O-]	REAL300000070818	1	43	0.0	-69.00	357.93	7.86	-61.14
CC1C[NH+]=C(NN=CC2=CN(C3CCOCC3)N=C2C(=O)[O-])N1	REAL300000070819	1	43	0.0	-46.55	342.25	6.02	-40.53
CC1C[NH+]=C(NN=CC2=C(C(=O)[O-])C=C(Br)S2)N1	REAL300000070821	1	29	0.0	-44.43	284.75	6.51	-37.92
CC1C[NH+]=C(NN=CC2=CC=CC=C2OCC2=CC=C(C(=O)[O-])O2)N1	REAL300000070822	0	43	0.0	-46.71	367.00	9.02	-37.69
CC1C[NH+]=C(NN=CC2=CC=CC(Br)=C2C(=O)[O-])N1	REAL300000070823	1	32	0.0	-45.13	286.33	7.15	-37.98
CC1C[NH+]=C(NN=CC2=CC=C(OCC(=O)[O-])C(Cl)=C2)N1	REAL300000070824	1	36	0.0	-64.34	322.87	7.72	-56.62
CC1C[NH+]=C(NN=CC2=CC=C(S(=O)(=O)NCC(=O)[O-])C=C2)N1	REAL300000070825	1	40	0.0	-63.46	352.05	3.40	-60.06
O=C([O-])COC1=CC=CC=C1C=NNC1=[NH+]C2CCCCC2N1	REAL300000072868	0	43	0.0	-39.37	342.04	8.80	-30.57
O=C([O-])COC1=CC=C(C=NNC2=[NH+]C3CCCCC3N2)C=C1	REAL300000072869	0	43	0.0	-61.11	347.53	8.41	-52.70
CC1=C(C(=O)[O-])OC2=C1C(=NNC1=[NH+]C3CCCCC3N1)CCC2	REAL300000072870	1	46	0.0	-61.28	353.73	8.99	-52.29
O=C([O-])COC1=CC=C(Br)C=C1C=NNC1=[NH+]C2CCCCC2N1	REAL300000072871	1	43	0.0	-35.46	359.65	9.43	-26.03
CC(OC1=CC=CC(C=NNC2=[NH+]C3CCCCC3N2)=C1)C(=O)[O-]	REAL300000072872	0	46	0.0	-58.94	365.24	9.00	-49.94
O=C([O-])CCOC1=CC=CC(C=NNC2=[NH+]C3CCCCC3N2)=C1	REAL300000072873	0	46	0.0	-57.33	368.51	8.54	-48.79
O=C([O-])C1=CC=CC=C1COC1=CC=CC(C=NNC2=[NH+]C3CCCCC3N2)=C1	REAL300000072874	0	53	0.0	-63.95	420.58	11.38	-52.57
O=C([O-])COC1=CC=C(C=NNC2=[NH+]C3CCCCC3N2)C=C1[N+](=O)[O-]	REAL300000072875	1	45	0.0	-74.87	373.51	9.57	-65.30
CC1=C(C(=O)[O-])OC(COC2=CC=C(C=NNC3=[NH+]C4CCCCC4N3)C=C2)=C1	REAL300000072876	0	53	0.0	-68.43	428.52	10.46	-57.97
O=C([O-])C1=CC=CC(COC2=CC=CC(C=NNC3=[NH+]C4CCCCC4N3)=C2)=C1	REAL300000072877	0	53	0.0	-66.33	427.78	11.39	-54.94
O=C([O-])COC1=CC=CC(C=NNC2=[NH+]C3CCCCC3N2)=C1	REAL300000072878	0	43	0.0	-58.49	347.56	8.42	-50.07
COC1=CC=C(C=NNC2=[NH+]C3CCCCC3N2)C(OCC(=O)[O-])=C1	REAL300000072879	1	47	0.0	-40.92	367.68	8.10	-32.82
O=C([O-])C(F)(F)OC1=CC=C(C=NNC2=[NH+]C3CCCCC3N2)C=C1	REAL300000072880	0	43	0.0	-57.75	356.85	7.94	-49.81
CN1C(C(=O)[O-])=CC(Br)=C1C=NNC1=[NH+]C2CCCCC2N1	REAL300000072881	1	40	0.0	-56.42	337.10	7.99	-48.43
O=C([O-])COC1=CC=C(C=NNC2=[NH+]C3CCCCC3N2)C=C1Br	REAL300000072882	1	43	0.0	-62.58	367.93	9.04	-53.54
O=C([O-])C1=CC2=NNC(C=NNC3=[NH+]C4CCCCC4N3)=C2C=C1	REAL300000072884	1	42	0.0	-71.26	341.25	6.82	-64.44
COC1=CC(C=NNC2=[NH+]C3CCCCC3N2)=C([N+](=O)[O-])C=C1OCC(=O)[O-]	REAL300000072885	1	49	0.0	-64.81	399.12	8.54	-56.27
CN(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1C=NNC1=[NH+]C2CCCCC2N1	REAL300000072886	0	50	0.0	-43.29	408.44	9.47	-33.82
COC1=CC(C=NNC2=[NH+]C3CCCCC3N2)=CC=C1OCCC(=O)[O-]	REAL300000072887	0	50	0.0	-61.04	397.68	8.46	-52.58
O=C([O-])C1=CC=C(C=NNC2=[NH+]C3CCCCC3N2)C(Cl)=C1	REAL300000072888	1	39	0.0	-59.23	326.06	8.84	-50.39
O=C([O-])C1=CC(C=NNC2=[NH+]C3CCCCC3N2)=CC=C1O	REAL300000072889	1	40	0.0	-59.96	325.29	6.17	-53.79
CC(OC1=CC=C(C=NNC2=[NH+]C3CCCCC3N2)C=C1)C(=O)[O-]	REAL300000072890	0	46	0.0	-61.86	365.40	9.00	-52.86
O=C([O-])CN1C=C(C=NNC2=[NH+]C3CCCCC3N2)C2=CC=CC=C21	REAL300000072891	0	46	0.0	-54.88	371.12	10.41	-44.47
CC(=NNC1=[NH+]C2CCCCC2N1)C1=CC=CC(OCCCC(=O)[O-])=C1	REAL300000072892	0	52	0.0	-58.16	403.83	9.84	-48.32
CC(=NNC1=[NH+]C2CCCCC2N1)C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000072895	0	49	0.0	-57.24	379.24	9.55	-47.69
CCC(=NNC1=[NH+]C2CCCCC2N1)C1=CC=C(OCCCCC(=O)[O-])C=C1	REAL300000072897	0	58	0.0	-58.38	446.77	11.35	-47.03
CC(=NNC1=[NH+]C2CCCCC2N1)C1=CSC(C(=O)[O-])=C1	REAL300000072898	0	39	0.0	-55.16	322.88	7.76	-47.40
COC1=CC(C(C)=NNC2=[NH+]C3CCCCC3N2)=CC=C1OCCCC(=O)[O-]	REAL300000072903	0	56	0.0	-65.69	433.00	9.75	-55.94
CC(=NNC1=[NH+]C2CCCCC2N1)C1=C(CC(=O)[O-])C2=CC=C(C)C=C2O1	REAL300000072904	1	51	0.0	-44.70	401.28	10.85	-33.85
CC1=CC(C)=C(C(=O)[O-])C=C1C=NNC1=[NH+]C2CCCCC2N1	REAL300000072905	1	45	0.0	-58.11	347.71	9.59	-48.52
O=C([O-])C1=CC=CC(C=NNC2=[NH+]C3CCCCC3N2)=C1Cl	REAL300000072906	1	39	0.0	-57.10	322.04	8.77	-48.33
O=C([O-])C(OC1=CC=CC(C=NNC2=[NH+]C3CCCCC3N2)=C1)C1=CC=CC=C1	REAL300000072907	0	53	0.0	-62.10	425.52	12.08	-50.02
O=C([O-])C1=CC=C(C=NNC2=[NH+]C3CCCCC3N2)C=C1F	REAL300000072908	1	39	0.0	-66.88	320.90	8.14	-58.74
O=C([O-])C=CC1=CC=C(C=NNC2=[NH+]C3CCCCC3N2)O1	REAL300000072909	1	40	0.0	-65.86	334.85	6.05	-59.81
O=C([O-])C1=CC=C2NC=C(C=NNC3=[NH+]C4CCCCC4N3)C2=C1	REAL300000072910	1	43	0.0	-59.93	347.11	8.17	-51.76
COC1=CC(C=NNC2=[NH+]C3CCCCC3N2)=CC(Cl)=C1OC(C)C(=O)[O-]	REAL300000072911	1	50	0.0	-70.40	413.02	9.60	-60.80
O=C([O-])C1=CC=C(C=NNC2=[NH+]C3CCCCC3N2)C=C1O	REAL300000072912	1	40	0.0	-64.64	325.16	6.18	-58.46
CC1=CC=C(C=NNC2=[NH+]C3CCCCC3N2)C=C1C(=O)[O-]	REAL300000072913	1	42	0.0	-56.99	332.48	8.67	-48.32
O=C([O-])C1=C(Cl)SC(C=NNC2=[NH+]C3CCCCC3N2)=C1	REAL300000072914	1	36	0.0	-57.12	321.82	7.68	-49.44
O=C([O-])C1=CN=C(Cl)C=C1C=NNC1=[NH+]C2CCCCC2N1	REAL300000072915	1	38	0.0	-38.36	322.95	6.56	-31.80
CN(C)C1=CC=C(C(=O)[O-])C=C1C=NNC1=[NH+]C2CCCCC2N1	REAL300000072917	1	47	0.0	-56.48	368.33	9.00	-47.48
CCC1=CC(C(=O)[O-])=C(C=NNC2=[NH+]C3CCCCC3N2)S1	REAL300000072919	0	42	0.0	-44.08	347.11	8.57	-35.51
COC1=CC=C(C(=O)[O-])C=C1C=NNC1=[NH+]C2CCCCC2N1	REAL300000072920	1	43	0.0	-56.39	343.56	7.77	-48.62
O=C([O-])C1=CC=C2SC=C(C=NNC3=[NH+]C4CCCCC4N3)C2=C1	REAL300000072921	1	42	0.0	-51.08	348.16	9.61	-41.47
O=C([O-])C1=CC=C(Br)C(C=NNC2=[NH+]C3CCCCC3N2)=C1	REAL300000072922	1	39	0.0	-51.64	327.87	9.07	-42.57
CC1=CC=C(C=NNC2=[NH+]C3CCCCC3N2)C(C(=O)[O-])=C1	REAL300000072923	0	42	0.0	-43.53	332.14	8.55	-34.98
COC1=CC(C=NNC2=[NH+]C3CCCCC3N2)=CC=C1C(=O)[O-]	REAL300000072924	1	43	0.0	-69.39	343.64	8.20	-61.19
O=C([O-])C1=CC(F)=C(C=NNC2=[NH+]C3CCCCC3N2)C(F)=C1	REAL300000072925	1	39	0.0	-51.22	326.28	8.31	-42.91
O=C([O-])C1=CC=C(COC2=CC=C(C=NNC3=[NH+]C4CCCCC4N3)C=C2)O1	REAL300000072927	0	50	0.0	-67.53	410.56	9.87	-57.66
O=C([O-])CC1=CC=CC(C2=CC=C(C=NNC3=[NH+]C4CCCCC4N3)C=C2)=C1	REAL300000072929	1	52	0.0	-63.31	412.78	12.32	-50.99
O=C([O-])C1=C(C=NNC2=[NH+]C3CCCCC3N2)SC(Cl)=C1	REAL300000072930	1	36	0.0	-41.54	320.79	7.61	-33.93
CCOC1=CC(C=NNC2=[NH+]C3CCCCC3N2)=CC=C1OCC(=O)[O-]	REAL300000072931	0	50	0.0	-67.76	398.60	9.08	-58.68
O=C([O-])C1=NN(C2CCOCC2)C=C1C=NNC1=[NH+]C2CCCCC2N1	REAL300000072932	1	50	0.0	-46.43	382.93	7.23	-39.20
COC1=CC=C(C)C(C=NNC2=[NH+]C3CCCCC3N2)=C1C(=O)[O-]	REAL300000072933	1	46	0.0	-49.42	353.35	8.88	-40.54
O=C([O-])CCC1=CC=C(C=NNC2=[NH+]C3CCCCC3N2)O1	REAL300000072935	0	42	0.0	-56.48	342.31	7.88	-48.60
O=C([O-])C1=C(C=NNC2=[NH+]C3CCCCC3N2)SC(Br)=C1	REAL300000072936	1	36	0.0	-41.53	325.43	7.72	-33.81
O=C([O-])C1=C2NC=C(C=NNC3=[NH+]C4CCCCC4N3)C2=CC=C1	REAL300000072937	1	43	0.0	-63.50	344.81	8.30	-55.20
O=C([O-])C1=CC2=CC(C=NNC3=[NH+]C4CCCCC4N3)=CC=C2O1	REAL300000072938	1	42	0.0	-66.03	345.78	8.87	-57.16
O=C([O-])C1=CN=C2C(C=NNC3=[NH+]C4CCCCC4N3)=CC=CN12	REAL300000072939	1	42	0.0	-62.85	341.34	8.43	-54.42
O=C([O-])C1=C(F)C=CC=C1C=NNC1=[NH+]C2CCCCC2N1	REAL300000072940	1	39	0.0	-48.07	315.31	7.90	-40.17
O=C([O-])C1=CC=C(COC2=CC=CC=C2C=NNC2=[NH+]C3CCCCC3N2)O1	REAL300000072941	0	50	0.0	-49.06	398.09	9.94	-39.12
O=C([O-])C1=C(Br)C=CC=C1C=NNC1=[NH+]C2CCCCC2N1	REAL300000072942	1	39	0.0	-42.03	327.02	8.36	-33.67
O=C([O-])C1=CC=C2OCOC2=C1C=NNC1=[NH+]C2CCCCC2N1	REAL300000072943	1	42	0.0	-38.89	335.96	6.66	-32.23
N#CC1=CC=C(C(=O)[O-])C(C=NNC2=[NH+]C3CCCCC3N2)=C1	REAL300000072944	1	40	0.0	-37.73	331.48	8.27	-29.46
O=C([O-])COC1=CC=C(C=NNC2=[NH+]C3CCCCC3N2)C=C1Cl	REAL300000072945	1	43	0.0	-63.12	363.54	8.93	-54.19
O=C([O-])CNS(=O)(=O)C1=CC=C(C=NNC2=[NH+]C3CCCCC3N2)C=C1	REAL300000072946	1	47	0.0	-62.34	392.72	4.61	-57.73
CC1=NSC(C=NNC2=[NH+]C3CCCCC3N2)=C1C(=O)[O-]	REAL300000072947	1	38	0.0	-39.99	315.40	6.21	-33.78
COC1=CC(C(=O)[O-])=CC=C1C=NNC1=[NH+]C2CCCCC2N1	REAL300000072949	1	43	0.0	-61.16	343.52	7.77	-53.39
O=C([O-])[C@H]1C[C@H](N2C=CC(C=NNC3=[NH+]C4CCCCC4N3)=N2)C1	REAL300000072950	0	46	0.0	-57.12	364.51	7.66	-49.46
CC(=NNC1=CC=[NH+]C=C1)C1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1	REAL300000073878	1	49	0.0	-65.53	412.12	7.30	-58.23
CC(=NNC1=CC=[NH+]C=C1)C1=CC=C(C2=CC=C(C(=O)[O-])O2)C=C1	REAL300000073879	1	39	0.0	-75.90	335.82	9.73	-66.17
COC1=CC(C=NNC2=CC=[NH+]C=C2)=CC=C1OCC(=O)[O-]	REAL300000073880	1	37	0.0	-74.73	321.32	7.05	-67.68
CC(=NNC1=CC=[NH+]C=C1)C1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1	REAL300000073881	1	40	0.0	-68.74	351.12	4.06	-64.68
CC(=NNC1=CC=[NH+]C=C1)C1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300000073882	1	43	0.0	-68.94	373.17	4.70	-64.24
CC(=NNC1=CC=[NH+]C=C1)C1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1	REAL300000073883	1	46	0.0	-73.01	394.67	5.49	-67.52
CC(=NNC1=CC=[NH+]C=C1)C1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1	REAL300000073884	1	43	0.0	-64.88	370.57	4.67	-60.21
O=C([O-])COC1=CC=C(Br)C=C1C=NNC1=CC=[NH+]C=C1	REAL300000073885	1	33	0.0	-57.93	312.42	7.93	-50.00
O=C([O-])C1=CC=CC=C1COC1=CC=CC(C=NNC2=CC=[NH+]C=C2)=C1	REAL300000073886	1	43	0.0	-71.90	365.16	10.28	-61.62
O=C([O-])COC1=CC=C(C=NNC2=CC=[NH+]C=C2)C=C1[N+](=O)[O-]	REAL300000073887	1	35	0.0	-80.82	318.09	8.46	-72.36
CC1=C(C(=O)[O-])OC(COC2=CC=C(C=NNC3=CC=[NH+]C=C3)C=C2)=C1	REAL300000073888	1	43	0.0	-75.61	373.10	9.36	-66.25
O=C([O-])C1=CC=CC(COC2=CC=CC(C=NNC3=CC=[NH+]C=C3)=C2)=C1	REAL300000073889	1	43	0.0	-75.02	372.36	10.29	-64.73
O=C([O-])C1=C(COC2=CC=C(C=NNC3=CC=[NH+]C=C3)C=C2)OC=C1	REAL300000073890	1	40	0.0	-73.41	351.47	8.43	-64.98
COC1=CC=C(C=NNC2=CC=[NH+]C=C2)C(OCC(=O)[O-])=C1	REAL300000073891	1	37	0.0	-62.95	320.55	6.62	-56.33
O=C([O-])C(F)(F)OC1=CC=C(C=NNC2=CC=[NH+]C=C2)C=C1	REAL300000073892	1	33	0.0	-65.41	301.43	6.83	-58.58
CN1C(C(=O)[O-])=CC(Br)=C1C=NNC1=CC=[NH+]C=C1	REAL300000073893	1	30	0.0	-67.58	279.68	6.79	-60.79
O=C([O-])COC1=CC=C(C=NNC2=CC=[NH+]C=C2)C=C1Br	REAL300000073894	1	33	0.0	-69.98	312.50	7.93	-62.05
COC1=C2OC(C(=O)[O-])=CC2=C(C=NNC2=CC=[NH+]C=C2)C=C1	REAL300000073895	1	36	0.0	-69.51	312.85	6.97	-62.54
O=C([O-])C1=CN(CCOC2=CC=C(C=NNC3=CC=[NH+]C=C3)C=C2Cl)N=N1	REAL300000073896	1	42	0.0	-74.31	387.75	7.42	-66.89
COC1=CC(C=NNC2=CC=[NH+]C=C2)=C([N+](=O)[O-])C=C1OCC(=O)[O-]	REAL300000073897	1	39	0.0	-73.79	343.69	7.43	-66.36
CN(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1C=NNC1=CC=[NH+]C=C1	REAL300000073898	1	40	0.0	-56.47	353.02	8.36	-48.11
CC(=NNC1=CC=[NH+]C=C1)C1=CC=C(OC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300000073899	1	43	0.0	-71.88	363.49	10.43	-61.45
COC1=CC(C=NNC2=CC=[NH+]C=C2)=CC=C1OCCC(=O)[O-]	REAL300000073900	1	40	0.0	-68.36	342.27	7.34	-61.02
CC(=NNC1=CC=[NH+]C=C1)C1=CC=CC(OCCCC(=O)[O-])=C1	REAL300000073901	1	42	0.0	-66.50	348.41	8.73	-57.77
CCC(=NNC1=CC=[NH+]C=C1)C1=CC=C(OCCCCC(=O)[O-])C=C1	REAL300000073906	1	48	0.0	-67.09	391.35	10.24	-56.85
COC1=CC(C(C)=NNC2=CC=[NH+]C=C2)=CC=C1OCCCC(=O)[O-]	REAL300000073907	1	46	0.0	-73.87	377.59	8.64	-65.23
CC(=NNC1=CC=[NH+]C=C1)C1=CC(Br)=CC=C1OCC(=O)[O-]	REAL300000073910	1	36	0.0	-56.75	331.63	8.48	-48.27
CC(=NNC1=CC=[NH+]C=C1)C1=C(CC(=O)[O-])C2=CC=C(C)C=C2O1	REAL300000073911	1	41	0.0	-59.76	343.94	9.66	-50.10
O=C([O-])C(OC1=CC=CC(C=NNC2=CC=[NH+]C=C2)=C1)C1=CC=CC=C1	REAL300000073912	1	43	0.0	-71.72	370.10	10.98	-60.74
CC(=NNC1=CC=[NH+]C=C1)C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000073913	1	42	0.0	-68.58	338.63	8.65	-59.93
O=C([O-])C1=CC=C(C2=CC=C(C=NNC3=CC=[NH+]C=C3)C=C2)C=C1	REAL300000073914	1	39	0.0	-75.96	334.93	10.39	-65.57
COC1=CC(C=NNC2=CC=[NH+]C=C2)=CC(Cl)=C1OC(C)C(=O)[O-]	REAL300000073915	1	40	0.0	-77.23	357.72	8.49	-68.74
O=C([O-])C1=CC(C2=CC=C(C=NNC3=CC=[NH+]C=C3)O2)=CC=C1O	REAL300000073916	1	37	0.0	-74.05	330.99	6.80	-67.25
O=C([O-])C1=CC=C(C2=CC=C(C=NNC3=CC=[NH+]C=C3)S2)C=C1	REAL300000073917	1	36	0.0	-74.39	329.31	9.67	-64.72
O=C([O-])C1=CC=CC(C2=CC=C(C=NNC3=CC=[NH+]C=C3)S2)=C1	REAL300000073918	1	36	0.0	-73.31	329.59	9.72	-63.59
O=C([O-])C1=CC=C(Br)C(C=NNC2=CC=[NH+]C=C2)=C1	REAL300000073919	1	29	0.0	-64.00	271.11	7.65	-56.35
COC1=CC(Br)=CC(C=NNC2=CC=[NH+]C=C2)=C1OCC(=O)[O-]	REAL300000073921	1	37	0.0	-63.12	345.52	7.80	-55.32
O=C([O-])C1=CC=C(COC2=CC=C(C=NNC3=CC=[NH+]C=C3)C=C2)O1	REAL300000073922	1	40	0.0	-74.74	355.14	8.77	-65.97
O=C([O-])C1=CC(I)=CC(C=NNC2=CC=[NH+]C=C2)=C1	REAL300000073923	1	29	0.0	-64.88	288.84	8.09	-56.79
O=C([O-])C1=CC2=CC=CC=C2C(C=NNC2=CC=[NH+]C=C2)=C1O	REAL300000073924	1	36	0.0	-68.17	310.43	7.48	-60.69
O=C([O-])CC1=CC=CC(C2=CC=C(C=NNC3=CC=[NH+]C=C3)C=C2)=C1	REAL300000073925	1	42	0.0	-70.73	357.36	11.20	-59.53
CCOC1=CC(C=NNC2=CC=[NH+]C=C2)=CC=C1OCC(=O)[O-]	REAL300000073926	1	40	0.0	-75.22	343.17	7.97	-67.25
O=C([O-])C1=NN(C2CCOCC2)C=C1C=NNC1=CC=[NH+]C=C1	REAL300000073927	1	40	0.0	-60.63	326.33	5.82	-54.81
CN1C2=CC=C(F)C=C2C(C=NNC2=CC=[NH+]C=C2)=C1C(=O)[O-]	REAL300000073928	1	36	0.0	-54.81	311.41	8.37	-46.44
CC(=NNC1=CC=[NH+]C=C1)C1=C(C(=O)[O-])C2=CC=CC=C2S1	REAL300000073929	1	35	0.0	-62.71	311.08	8.77	-53.94
O=C([O-])C1=C(C=NNC2=CC=[NH+]C=C2)SC(Br)=C1	REAL300000073930	1	26	0.0	-57.22	270.49	6.62	-50.60
CC(=NNC1=CC=[NH+]C=C1)C1=C(C(=O)[O-])C2=CC=CC=C2N=C1	REAL300000073931	1	37	0.0	-59.54	308.97	8.04	-51.50
O=C([O-])C1=CC=C(COC2=CC=CC=C2C=NNC2=CC=[NH+]C=C2)O1	REAL300000073932	1	40	0.0	-50.44	346.47	8.86	-41.58
O=C([O-])C1=C(Br)C=CC=C1C=NNC1=CC=[NH+]C=C1	REAL300000073933	1	29	0.0	-58.24	271.57	7.27	-50.97
COC1=CC(OC)=C2C(=C1)NC(C(=O)[O-])=C2C=NNC1=CC=[NH+]C=C1	REAL300000073934	1	41	0.0	-63.55	352.43	3.88	-59.67
O=C([O-])COC1=CC=C(C=NNC2=CC=[NH+]C=C2)C=C1Cl	REAL300000073935	1	33	0.0	-70.51	308.12	7.82	-62.69
O=C([O-])CNS(=O)(=O)C1=CC=C(C=NNC2=CC=[NH+]C=C2)C=C1	REAL300000073936	1	37	0.0	-69.18	337.30	3.51	-65.67
O=C([O-])C1=CC2=C(C=NNC3=CC=[NH+]C=C3)C(F)=CC=C2S1	REAL300000073937	1	32	0.0	-65.23	301.42	8.58	-56.65
CCC1=CC=CC(C)=C1N[NH+]=CC1=CC(C(=O)[O-])=CC=C1N(C)C	REAL300000076717	1	47	0.0	-48.17	374.22	12.18	-35.99
C[NH+]1CCN(C(=O)NN=CC2=CC=CC=C2OCC(=O)[O-])CC1	REAL300000077853	1	43	0.0	-88.48	345.14	8.28	-80.20
C[NH+]1CCN(C(=O)NN=CC2=CC=C(OCC(=O)[O-])C=C2)CC1	REAL300000077854	1	43	0.0	-72.82	344.70	7.35	-65.47
CC1=C(C(=O)[O-])OC2=C1C(=NNC(=O)N1CC[NH+](C)CC1)CCC2	REAL300000077855	1	46	0.0	-94.78	357.14	7.99	-86.79
C[NH+]1CCN(C(=O)NN=CC2=CC(Br)=CC=C2OCC(=O)[O-])CC1	REAL300000077856	1	43	0.0	-83.80	366.56	8.86	-74.94
CC(OC1=CC=CC(C=NNC(=O)N2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300000077857	1	46	0.0	-78.29	362.62	7.94	-70.35
C[NH+]1CCN(C(=O)NN=CC2=CC=CC(OCCC(=O)[O-])=C2)CC1	REAL300000077858	1	46	0.0	-72.99	365.68	7.47	-65.52
C[NH+]1CCN(C(=O)NN=CC2=CC=CC(OCC3=CC=CC=C3C(=O)[O-])=C2)CC1	REAL300000077859	1	53	0.0	-76.79	417.73	10.33	-66.46
C[NH+]1CCN(C(=O)NN=CC2=CC=C(OCC(=O)[O-])C([N+](=O)[O-])=C2)CC1	REAL300000077860	1	45	0.0	-87.51	370.68	8.52	-78.99
C[NH+]1CCN(C(=O)NN=CC2=CC=CC(OCC3=CC=CC(C(=O)[O-])=C3)=C2)CC1	REAL300000077861	1	53	0.0	-85.62	424.94	10.34	-75.28
C[NH+]1CCN(C(=O)NN=CC2=CC=CC(OCC(=O)[O-])=C2)CC1	REAL300000077862	1	43	0.0	-77.07	344.72	7.35	-69.72
COC1=CC=C(C=NNC(=O)N2CC[NH+](C)CC2)C(OCC(=O)[O-])=C1	REAL300000077863	1	47	0.0	-91.06	374.49	7.58	-83.48
C[NH+]1CCN(C(=O)NN=CC2=CC=C(OC(F)(F)C(=O)[O-])C=C2)CC1	REAL300000077864	1	43	0.0	-66.94	354.03	6.89	-60.05
CN1C(C(=O)[O-])=CC(Br)=C1C=NNC(=O)N1CC[NH+](C)CC1	REAL300000077865	1	40	0.0	-84.17	341.09	7.01	-77.16
C[NH+]1CCN(C(=O)NN=CC2=CC=C(OCC(=O)[O-])C(Br)=C2)CC1	REAL300000077866	1	43	0.0	-71.88	365.09	7.99	-63.89
COC1=C2OC(C(=O)[O-])=CC2=C(C=NNC(=O)N2CC[NH+](C)CC2)C=C1	REAL300000077867	1	46	0.0	-102.72	375.65	7.23	-95.49
C[NH+]1CCN(C(=O)NN=CC2=C3C=CC(C(=O)[O-])=CC3=NN2)CC1	REAL300000077868	1	42	0.0	-97.55	344.67	5.82	-91.73
COC1=CC(C=NNC(=O)N2CC[NH+](C)CC2)=C([N+](=O)[O-])C=C1OCC(=O)[O-]	REAL300000077869	1	49	0.0	-84.70	402.57	7.54	-77.16
COC1=CC(C=NNC(=O)N2CC[NH+](C)CC2)=CC=C1OCCC(=O)[O-]	REAL300000077870	1	50	0.0	-69.55	394.84	7.39	-62.16
C[NH+]1CCN(C(=O)NN=CC2=CC=C(C(=O)[O-])C=C2Cl)CC1	REAL300000077871	1	39	0.0	-88.02	331.93	7.81	-80.21
C[NH+]1CCN(C(=O)NN=CC2=CC=C(O)C(C(=O)[O-])=C2)CC1	REAL300000077872	1	40	0.0	-78.97	322.41	5.12	-73.85
CC(OC1=CC=C(C=NNC(=O)N2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300000077873	1	46	0.0	-73.77	363.23	7.97	-65.80
C[NH+]1CCN(C(=O)NN=CC2=CN(CC(=O)[O-])C3=CC=CC=C23)CC1	REAL300000077874	1	46	0.0	-82.36	374.55	9.42	-72.94
CC(=NNC(=O)N1CC[NH+](C)CC1)C1=CC=CC(OCCCC(=O)[O-])=C1	REAL300000077875	1	52	0.0	-64.34	401.00	8.80	-55.54
CC(CCC1=CC=C(OC(C)C(=O)[O-])C=C1)=NNC(=O)N1CC[NH+](C)CC1	REAL300000077876	1	55	0.0	-78.33	425.98	10.19	-68.14
CC(CCC1=CC=C(OCC(=O)[O-])C=C1)=NNC(=O)N1CC[NH+](C)CC1	REAL300000077877	1	52	0.0	-76.65	408.13	9.58	-67.07
CC(=NNC(=O)N1CC[NH+](C)CC1)C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000077878	1	49	0.0	-58.05	376.25	8.47	-49.58
CC(CCC1=CC=C(OCCC(=O)[O-])C=C1)=NNC(=O)N1CC[NH+](C)CC1	REAL300000077879	1	55	0.0	-74.41	429.07	9.71	-64.70
CCC(=NNC(=O)N1CC[NH+](C)CC1)C1=CC=C(OCCCCC(=O)[O-])C=C1	REAL300000077880	1	58	0.0	-74.43	443.92	10.30	-64.13
CC(=NNC(=O)N1CC[NH+](C)CC1)C1=CSC(C(=O)[O-])=C1	REAL300000077881	1	39	0.0	-57.87	320.98	6.78	-51.09
C[NH+]1CCN(C(=O)NN=C2CC(C(=O)[O-])(C3=CC=CC=C3)C2)CC1	REAL300000077882	1	46	0.0	-69.32	357.55	8.67	-60.65
CC(=NNC(=O)N1CC[NH+](C)CC1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	REAL300000077883	1	51	0.0	-81.21	377.95	8.77	-72.44
CC(CCCCCCC(=O)[O-])=NNC(=O)N1CC[NH+](C)CC1	REAL300000077884	1	50	0.0	-72.08	382.32	8.76	-63.32
CC1C(=NNC(=O)N2CC[NH+](C)CC2)CCC(C(=O)[O-])C1(C)C	REAL300000077885	1	51	0.0	-72.40	355.58	7.54	-64.86
COC1=CC(C(C)=NNC(=O)N2CC[NH+](C)CC2)=CC=C1OCCCC(=O)[O-]	REAL300000077886	1	56	0.0	-80.10	430.15	8.71	-71.39
CC(=NNC(=O)N1CC[NH+](C)CC1)C1=C(CC(=O)[O-])C2=CC=C(C)C=C2O1	REAL300000077887	1	51	0.0	-92.59	405.17	9.90	-82.69
CC1=CC(C)=C(C(=O)[O-])C=C1C=NNC(=O)N1CC[NH+](C)CC1	REAL300000077888	1	45	0.0	-81.96	355.85	8.72	-73.24
C[NH+]1CCN(C(=O)NN=CC2=CC=CC(C(=O)[O-])=C2Cl)CC1	REAL300000077889	1	39	0.0	-94.07	327.89	7.73	-86.34
C[NH+]1CCN(C(=O)NN=CC2=CC=CC(OC(C(=O)[O-])C3=CC=CC=C3)=C2)CC1	REAL300000077890	1	53	0.0	-78.68	423.86	11.09	-67.59
C[NH+]1CCN(C(=O)NN=CC2=CC=C(C(=O)[O-])C(F)=C2)CC1	REAL300000077891	1	39	0.0	-74.04	317.96	7.07	-66.97
C[NH+]1CCN(C(=O)NN=CC2=CC=C(C=CC(=O)[O-])O2)CC1	REAL300000077892	1	40	0.0	-65.30	334.74	5.09	-60.21
C[NH+]1CCN(C(=O)NN=CC2=CNC3=CC=C(C(=O)[O-])C=C23)CC1	REAL300000077893	1	43	0.0	-105.83	350.68	7.17	-98.66
COC1=CC(C=NNC(=O)N2CC[NH+](C)CC2)=CC(Cl)=C1OC(C)C(=O)[O-]	REAL300000077894	1	50	0.0	-76.48	410.10	8.54	-67.94
C[NH+]1CCN(C(=O)NN=CC2=CC=C(C(=O)[O-])C(O)=C2)CC1	REAL300000077895	1	40	0.0	-74.22	322.20	5.09	-69.13
CC1=CC=C(C=NNC(=O)N2CC[NH+](C)CC2)C=C1C(=O)[O-]	REAL300000077896	1	42	0.0	-76.76	330.11	7.63	-69.13
C[NH+]1CCN(C(=O)NN=CC2=CC(C(=O)[O-])=C(Cl)S2)CC1	REAL300000077897	1	36	0.0	-72.46	321.72	6.72	-65.74
C[NH+]1CCN(C(=O)NN=CC2=CC(Cl)=NC=C2C(=O)[O-])CC1	REAL300000077898	1	38	0.0	-65.05	326.36	5.58	-59.47
C[NH+]1CCN(C(=O)NN=CC2=CC=C(C3=CC=C(O)C(C(=O)[O-])=C3)O2)CC1	REAL300000077899	1	47	0.0	-59.94	386.32	6.97	-52.97
CN(C)C1=CC=C(C(=O)[O-])C=C1C=NNC(=O)N1CC[NH+](C)CC1	REAL300000077900	1	47	0.0	-79.51	372.32	7.99	-71.52
C[NH+]1CCN(C(=O)NN=CC2=CC=C(C3=CC=CC(C(=O)[O-])=C3)S2)CC1	REAL300000077901	1	46	0.0	-66.70	384.93	9.87	-56.83
CCC1=CC(C(=O)[O-])=C(C=NNC(=O)N2CC[NH+](C)CC2)S1	REAL300000077902	1	42	0.0	-71.63	347.00	7.62	-64.01
COC1=CC=C(C(=O)[O-])C=C1C=NNC(=O)N1CC[NH+](C)CC1	REAL300000077903	1	43	0.0	-81.83	347.06	6.78	-75.05
C[NH+]1CCN(C(=O)NN=CC2=CSC3=CC=C(C(=O)[O-])C=C23)CC1	REAL300000077904	1	42	0.0	-96.95	353.60	8.57	-88.38
C[NH+]1CCN(C(=O)NN=CC2=CC(C(=O)[O-])=CC=C2Br)CC1	REAL300000077905	1	39	0.0	-77.58	335.73	7.98	-69.60
CC1=CC=C(C=NNC(=O)N2CC[NH+](C)CC2)C(C(=O)[O-])=C1	REAL300000077906	1	42	0.0	-71.71	335.46	7.56	-64.15
COC1=CC(C=NNC(=O)N2CC[NH+](C)CC2)=CC=C1C(=O)[O-]	REAL300000077907	1	43	0.0	-77.97	340.68	7.11	-70.86
C[NH+]1CCN(C(=O)NN=CC2=C(F)C=C(C(=O)[O-])C=C2F)CC1	REAL300000077908	1	39	0.0	-80.51	329.70	7.31	-73.20
C[NH+]1CCN(C(=O)NN=CC2=CC=C(OCC3=CC=C(C(=O)[O-])O3)C=C2)CC1	REAL300000077910	1	50	0.0	-81.80	407.71	8.82	-72.98
C[NH+]1CCN(C(=O)NN=CC2=C(O)C(C(=O)[O-])=CC3=CC=CC=C32)CC1	REAL300000077911	1	46	0.0	-96.14	369.28	7.57	-88.57
C[NH+]1CCN(C(=O)NN=CC2=CC=C(C3=CC=CC(CC(=O)[O-])=C3)C=C2)CC1	REAL300000077912	1	52	0.0	-71.15	409.85	11.23	-59.92
C[NH+]1CCN(C(=O)NN=CC2=C(C(=O)[O-])C=C(Cl)S2)CC1	REAL300000077913	1	36	0.0	-66.91	320.58	6.68	-60.23
CCOC1=CC(C=NNC(=O)N2CC[NH+](C)CC2)=CC=C1OCC(=O)[O-]	REAL300000077914	1	50	0.0	-78.70	395.74	8.02	-70.68
C[NH+]1CCN(C(=O)NN=CC2=CN(C3CCOCC3)N=C2C(=O)[O-])CC1	REAL300000077915	1	50	0.0	-98.29	390.50	6.16	-92.13
COC1=CC=C(C)C(C=NNC(=O)N2CC[NH+](C)CC2)=C1C(=O)[O-]	REAL300000077916	1	46	0.0	-76.26	357.13	7.92	-68.34
CN1C2=CC=C(F)C=C2C(C=NNC(=O)N2CC[NH+](C)CC2)=C1C(=O)[O-]	REAL300000077917	1	46	0.0	-70.09	371.73	8.55	-61.54
C[NH+]1CCN(C(=O)NN=CC2=CC=C(CCC(=O)[O-])O2)CC1	REAL300000077918	1	42	0.0	-60.61	342.22	6.91	-53.70
C[NH+]1CCN(C(=O)NN=CC2=C(C(=O)[O-])C=C(Br)S2)CC1	REAL300000077919	1	36	0.0	-66.79	325.21	6.79	-60.00
C[NH+]1CCN(C(=O)NN=CC2=CNC3=C(C(=O)[O-])C=CC=C23)CC1	REAL300000077920	1	43	0.0	-89.56	348.23	7.31	-82.25
C[NH+]1CCN(C(=O)NN=CC2=CC=C3OC(C(=O)[O-])=CC3=C2)CC1	REAL300000077921	1	42	0.0	-79.88	342.89	7.80	-72.08
C[NH+]1CCN(C(=O)NN=CC2=CC=CN3C(C(=O)[O-])=CN=C23)CC1	REAL300000077922	1	42	0.0	-83.84	338.53	7.36	-76.48
C[NH+]1CCN(C(=O)NN=CC2=CC=CC(F)=C2C(=O)[O-])CC1	REAL300000077923	1	39	0.0	-74.20	318.73	6.93	-67.27
C[NH+]1CCN(C(=O)NN=CC2=CC=CC=C2OCC2=CC=C(C(=O)[O-])O2)CC1	REAL300000077924	1	50	0.0	-89.97	411.75	9.23	-80.74
C[NH+]1CCN(C(=O)NN=CC2=CC=CC(Br)=C2C(=O)[O-])CC1	REAL300000077925	1	39	0.0	-69.11	330.44	7.39	-61.72
C[NH+]1CCN(C(=O)NN=CC2=C(C(=O)[O-])C=CC3=C2OCO3)CC1	REAL300000077926	1	42	0.0	-70.34	339.39	5.68	-64.66
C[NH+]1CCN(C(=O)NN=CC2=CC(C#N)=CC=C2C(=O)[O-])CC1	REAL300000077927	1	40	0.0	-65.92	334.84	7.27	-58.65
C[NH+]1CCN(C(=O)NN=CC2=CC=C(OCC(=O)[O-])C(Cl)=C2)CC1	REAL300000077928	1	43	0.0	-72.43	360.71	7.88	-64.55
C[NH+]1CCN(C(=O)NN=CC2=CC=C(S(=O)(=O)NCC(=O)[O-])C=C2)CC1	REAL300000077929	1	47	0.0	-74.09	389.90	3.57	-70.52
CC1=NSC(C=NNC(=O)N2CC[NH+](C)CC2)=C1C(=O)[O-]	REAL300000077930	1	38	0.0	-63.46	315.28	5.26	-58.20
C[NH+]1CCN(C(=O)NN=CC2=C3C=C(C(=O)[O-])SC3=CC=C2F)CC1	REAL300000077931	1	42	0.0	-78.03	360.27	8.70	-69.33
COC1=CC(C(=O)[O-])=CC=C1C=NNC(=O)N1CC[NH+](C)CC1	REAL300000077932	1	43	0.0	-89.00	347.06	6.76	-82.24
C[NH+]1CCN(C(=O)NN=CC2=NN([C@H]3C[C@H](C(=O)[O-])C3)C=C2)CC1	REAL300000077933	1	46	0.0	-65.94	363.84	6.69	-59.25
O=C([O-])COC1=CC=CC=C1C=NNCCC[NH+]1CCOCC1	REAL300000079898	1	46	0.0	-65.31	367.28	7.40	-57.91
O=C([O-])COC1=CC=C(C=NNCCC[NH+]2CCOCC2)C=C1	REAL300000079899	1	46	0.0	-76.61	369.55	7.14	-69.47
CC1=C(C(=O)[O-])OC2=C1C(=NNCCC[NH+]1CCOCC1)CCC2	REAL300000079900	1	49	0.0	-82.16	375.18	7.72	-74.44
CC(OC1=CC=CC(C=NNCCC[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300000079901	1	49	0.0	-75.68	387.27	7.72	-67.96
O=C([O-])CCOC1=CC=CC(C=NNCCC[NH+]2CCOCC2)=C1	REAL300000079902	1	49	0.0	-73.07	390.52	7.26	-65.81
O=C([O-])C1=CC=CC=C1COC1=CC=CC(C=NNCCC[NH+]2CCOCC2)=C1	REAL300000079903	1	56	0.0	-79.86	442.59	10.11	-69.75
O=C([O-])COC1=CC=C(C=NNCCC[NH+]2CCOCC2)C=C1[N+](=O)[O-]	REAL300000079904	1	48	0.0	-86.52	395.53	8.31	-78.21
O=C([O-])C1=CC=CC(COC2=CC=CC(C=NNCCC[NH+]3CCOCC3)=C2)=C1	REAL300000079905	1	56	0.0	-82.13	449.80	10.13	-72.00
O=C([O-])COC1=CC=CC(C=NNCCC[NH+]2CCOCC2)=C1	REAL300000079906	1	46	0.0	-75.10	369.58	7.13	-67.97
COC1=CC=C(C=NNCCC[NH+]2CCOCC2)C(OCC(=O)[O-])=C1	REAL300000079907	1	50	0.0	-67.59	396.71	6.70	-60.89
O=C([O-])C(F)(F)OC1=CC=C(C=NNCCC[NH+]2CCOCC2)C=C1	REAL300000079908	1	46	0.0	-73.03	378.82	7.31	-65.72
CN1C(C(=O)[O-])=CC(Br)=C1C=NNCCC[NH+]1CCOCC1	REAL300000079909	1	43	0.0	-76.66	359.74	6.73	-69.93
COC1=C2OC(C(=O)[O-])=CC2=C(C=NNCCC[NH+]2CCOCC2)C=C1	REAL300000079910	1	49	0.0	-81.52	394.12	6.93	-74.59
O=C([O-])C1=CC2=NNC(C=NNCCC[NH+]3CCOCC3)=C2C=C1	REAL300000079911	1	45	0.0	-86.62	363.45	5.44	-81.18
COC1=CC(C=NNCCC[NH+]2CCOCC2)=C([N+](=O)[O-])C=C1OCC(=O)[O-]	REAL300000079912	1	52	0.0	-80.74	421.10	7.28	-73.46
COC1=CC(C=NNCCC[NH+]2CCOCC2)=CC=C1OCCC(=O)[O-]	REAL300000079913	1	53	0.0	-76.78	419.71	7.17	-69.61
O=C([O-])C1=CC=C(C=NNCCC[NH+]2CCOCC2)C(Cl)=C1	REAL300000079914	1	42	0.0	-77.38	350.42	7.54	-69.84
O=C([O-])C1=CC(C=NNCCC[NH+]2CCOCC2)=CC=C1O	REAL300000079915	1	43	0.0	-77.92	347.31	4.91	-73.01
CC(OC1=CC=C(C=NNCCC[NH+]2CCOCC2)C=C1)C(=O)[O-]	REAL300000079916	1	49	0.0	-77.20	387.41	7.74	-69.46
O=C([O-])CN1C=C(C=NNCCC[NH+]2CCOCC2)C2=CC=CC=C21	REAL300000079917	1	49	0.0	-73.98	393.14	9.14	-64.84
CC(=NNCCC[NH+]1CCOCC1)C1=CC=CC(OCCCC(=O)[O-])=C1	REAL300000079918	1	55	0.0	-76.35	425.85	8.59	-67.76
CC(CCC1=CC=C(OC(C)C(=O)[O-])C=C1)N=NCCC[NH+]1CCOCC1	REAL300000079919	1	58	0.0	-76.09	451.36	8.40	-67.69
CC(CCC1=CC=C(OCC(=O)[O-])C=C1)N=NCCC[NH+]1CCOCC1	REAL300000079920	1	55	0.0	-75.64	433.49	7.81	-67.83
CC(=NNCCC[NH+]1CCOCC1)C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000079921	1	52	0.0	-77.37	401.27	8.31	-69.06
CC(CCC1=CC=C(OCCC(=O)[O-])C=C1)N=NCCC[NH+]1CCOCC1	REAL300000079922	1	58	0.0	-71.46	454.44	7.94	-63.52
CCC(=NNCCC[NH+]1CCOCC1)C1=CC=C(OCCCCC(=O)[O-])C=C1	REAL300000079923	1	61	0.0	-75.33	468.64	10.10	-65.23
CC(=NNCCC[NH+]1CCOCC1)C1=CSC(C(=O)[O-])=C1	REAL300000079924	1	42	0.0	-76.80	344.92	6.50	-70.30
O=C([O-])C1(C2=CC=CC=C2)CC(N=NCCC[NH+]2CCOCC2)C1	REAL300000079925	1	49	0.0	-63.16	378.15	7.41	-55.75
CC(N=NCCC[NH+]1CCOCC1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	REAL300000079926	1	54	0.0	-72.30	401.42	6.69	-65.61
CC(CCCCCCC(=O)[O-])N=NCCC[NH+]1CCOCC1	REAL300000079927	1	53	0.0	-71.16	407.66	6.99	-64.17
CC1C(N=NCCC[NH+]2CCOCC2)CCC(C(=O)[O-])C1(C)C	REAL300000079928	1	54	0.0	-65.57	377.98	6.80	-58.77
COC1=CC(C(C)=NNCCC[NH+]2CCOCC2)=CC=C1OCCCC(=O)[O-]	REAL300000079929	1	59	0.0	-81.62	455.03	8.50	-73.12
CC(=NNCCC[NH+]1CCOCC1)C1=C(CC(=O)[O-])C2=CC=C(C)C=C2O1	REAL300000079930	1	54	0.0	-73.79	423.48	9.59	-64.20
CC1=CC(C)=C(C(=O)[O-])C=C1C=NNCCC[NH+]1CCOCC1	REAL300000079931	1	48	0.0	-76.62	370.06	8.31	-68.31
O=C([O-])C1=CC=CC(C=NNCCC[NH+]2CCOCC2)=C1Cl	REAL300000079932	1	42	0.0	-77.47	346.48	7.44	-70.03
O=C([O-])C(OC1=CC=CC(C=NNCCC[NH+]2CCOCC2)=C1)C1=CC=CC=C1	REAL300000079933	1	56	0.0	-80.36	447.51	10.82	-69.54
O=C([O-])C1=CC=C(C=NNCCC[NH+]2CCOCC2)C=C1F	REAL300000079934	1	42	0.0	-82.15	342.88	6.87	-75.28
O=C([O-])C=CC1=CC=C(C=NNCCC[NH+]2CCOCC2)O1	REAL300000079935	1	43	0.0	-84.36	356.84	4.76	-79.60
O=C([O-])C1=CC=C2NC=C(C=NNCCC[NH+]3CCOCC3)C2=C1	REAL300000079936	1	46	0.0	-81.07	369.14	6.89	-74.18
COC1=CC(C=NNCCC[NH+]2CCOCC2)=CC(Cl)=C1OC(C)C(=O)[O-]	REAL300000079937	1	53	0.0	-85.09	435.13	8.33	-76.76
O=C([O-])C1=CC=C(C=NNCCC[NH+]2CCOCC2)C=C1O	REAL300000079938	1	43	0.0	-81.14	347.16	4.91	-76.23
CC1=CC=C(C=NNCCC[NH+]2CCOCC2)C=C1C(=O)[O-]	REAL300000079939	1	45	0.0	-75.32	354.49	7.39	-67.93
O=C([O-])C1=C(Cl)SC(C=NNCCC[NH+]2CCOCC2)=C1	REAL300000079940	1	39	0.0	-75.66	343.83	6.42	-69.24
O=C([O-])C1=CN=C(Cl)C=C1C=NNCCC[NH+]1CCOCC1	REAL300000079941	1	41	0.0	-62.88	344.90	5.29	-57.59
O=C([O-])C1=CC(C2=CC=C(C=NNCCC[NH+]3CCOCC3)O2)=CC=C1O	REAL300000079942	1	50	0.0	-85.11	408.44	6.64	-78.47
CN(C)C1=CC=C(C(=O)[O-])C=C1C=NNCCC[NH+]1CCOCC1	REAL300000079943	1	50	0.0	-76.39	390.37	7.71	-68.68
O=C([O-])C1=CC=CC(C2=CC=C(C=NNCCC[NH+]3CCOCC3)S2)=C1	REAL300000079944	1	49	0.0	-83.04	407.04	9.56	-73.48
CCC1=CC(C(=O)[O-])=C(C=NNCCC[NH+]2CCOCC2)S1	REAL300000079945	1	45	0.0	-70.60	369.61	7.31	-63.29
COC1=CC=C(C(=O)[O-])C=C1C=NNCCC[NH+]1CCOCC1	REAL300000079946	1	46	0.0	-76.56	365.57	6.51	-70.05
O=C([O-])C1=CC=C2SC=C(C=NNCCC[NH+]3CCOCC3)C2=C1	REAL300000079947	1	45	0.0	-72.03	372.06	8.30	-63.73
O=C([O-])C1=CC=C(Br)C(C=NNCCC[NH+]2CCOCC2)=C1	REAL300000079948	1	42	0.0	-72.55	354.32	7.71	-64.84
CC1=CC=C(C=NNCCC[NH+]2CCOCC2)C(C(=O)[O-])=C1	REAL300000079949	1	45	0.0	-69.48	354.10	7.28	-62.20
COC1=CC(C=NNCCC[NH+]2CCOCC2)=CC=C1C(=O)[O-]	REAL300000079950	1	46	0.0	-85.98	365.64	6.93	-79.05
O=C([O-])C1=CC(F)=C(C=NNCCC[NH+]2CCOCC2)C(F)=C1	REAL300000079951	1	42	0.0	-70.87	348.29	7.03	-63.84
O=C([O-])C1=CC=C(COC2=CC=C(C=NNCCC[NH+]3CCOCC3)C=C2)O1	REAL300000079953	1	53	0.0	-82.19	432.57	8.61	-73.58
O=C([O-])C1=CC2=CC=CC=C2C(C=NNCCC[NH+]2CCOCC2)=C1O	REAL300000079954	1	49	0.0	-80.69	387.87	7.31	-73.38
O=C([O-])CC1=CC=CC(C2=CC=C(C=NNCCC[NH+]3CCOCC3)C=C2)=C1	REAL300000079955	1	55	0.0	-79.19	434.80	11.05	-68.14
O=C([O-])C1=C(C=NNCCC[NH+]2CCOCC2)SC(Cl)=C1	REAL300000079956	1	39	0.0	-66.91	343.30	6.34	-60.57
CCOC1=CC(C=NNCCC[NH+]2CCOCC2)=CC=C1OCC(=O)[O-]	REAL300000079957	1	53	0.0	-82.75	420.61	7.81	-74.94
O=C([O-])C1=NN(C2CCOCC2)C=C1C=NNCCC[NH+]1CCOCC1	REAL300000079958	1	53	0.0	-77.22	409.64	5.86	-71.36
COC1=CC=C(C)C(C=NNCCC[NH+]2CCOCC2)=C1C(=O)[O-]	REAL300000079959	1	49	0.0	-75.35	375.57	7.61	-67.74
CN1C2=CC=C(F)C=C2C(C=NNCCC[NH+]2CCOCC2)=C1C(=O)[O-]	REAL300000079960	1	49	0.0	-65.86	390.27	8.26	-57.60
O=C([O-])CCC1=CC=C(C=NNCCC[NH+]2CCOCC2)O1	REAL300000079961	1	45	0.0	-74.85	364.34	6.60	-68.25
O=C([O-])C1=C(C=NNCCC[NH+]2CCOCC2)SC(Br)=C1	REAL300000079962	1	39	0.0	-66.95	347.92	6.46	-60.49
O=C([O-])C1=C2NC=C(C=NNCCC[NH+]3CCOCC3)C2=CC=C1	REAL300000079963	1	46	0.0	-79.41	366.83	7.02	-72.39
O=C([O-])C1=CC2=CC(C=NNCCC[NH+]3CCOCC3)=CC=C2O1	REAL300000079964	1	45	0.0	-79.78	367.79	7.60	-72.18
O=C([O-])C1=CN=C2C(C=NNCCC[NH+]3CCOCC3)=CC=CN12	REAL300000079965	1	45	0.0	-79.78	363.36	7.15	-72.63
O=C([O-])C1=C(F)C=CC=C1C=NNCCC[NH+]1CCOCC1	REAL300000079966	1	42	0.0	-72.77	337.25	6.65	-66.12
O=C([O-])C1=CC=C(COC2=CC=CC=C2C=NNCCC[NH+]2CCOCC2)O1	REAL300000079967	1	53	0.0	-66.31	430.31	8.95	-57.36
O=C([O-])C1=C(Br)C=CC=C1C=NNCCC[NH+]1CCOCC1	REAL300000079968	1	42	0.0	-66.87	348.97	7.09	-59.78
O=C([O-])C1=CC=C2OCOC2=C1C=NNCCC[NH+]1CCOCC1	REAL300000079969	1	45	0.0	-68.33	362.50	5.81	-62.52
N#CC1=CC=C(C(=O)[O-])C(C=NNCCC[NH+]2CCOCC2)=C1	REAL300000079970	1	43	0.0	-62.06	353.47	6.98	-55.08
O=C([O-])COC1=CC=C(C=NNCCC[NH+]2CCOCC2)C=C1Cl	REAL300000079971	1	46	0.0	-78.10	385.56	7.66	-70.44
O=C([O-])CNS(=O)(=O)C1=CC=C(C=NNCCC[NH+]2CCOCC2)C=C1	REAL300000079972	1	50	0.0	-76.62	414.73	3.36	-73.26
CC1=NSC(C=NNCCC[NH+]2CCOCC2)=C1C(=O)[O-]	REAL300000079973	1	41	0.0	-65.67	337.40	4.94	-60.73
O=C([O-])C1=CC2=C(C=NNCCC[NH+]3CCOCC3)C(F)=CC=C2S1	REAL300000079974	1	45	0.0	-72.57	378.85	8.41	-64.16
COC1=CC(C(=O)[O-])=CC=C1C=NNCCC[NH+]1CCOCC1	REAL300000079975	1	46	0.0	-79.43	365.52	6.48	-72.95
O=C([O-])[C@H]1C[C@H](N2C=CC(C=NNCCC[NH+]3CCOCC3)=N2)C1	REAL300000079976	1	49	0.0	-75.03	386.06	6.36	-68.67
CC1=C(C(=O)[O-])OC2=C1C(=NNC1CC[NH+](C)CC1)CCC2	REAL300000081320	0	45	0.0	-78.95	345.09	8.64	-70.31
C[NH+]1CCC(NN=CC2=CC(Br)=CC=C2OCC(=O)[O-])CC1	REAL300000081321	0	42	0.0	-57.35	357.97	8.94	-48.41
CC(OC1=CC=CC(C=NNC2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300000081322	0	45	0.0	-74.02	356.84	8.66	-65.36
C[NH+]1CCC(NN=CC2=CC=CC(OCCC(=O)[O-])=C2)CC1	REAL300000081323	0	45	0.0	-70.70	359.93	8.19	-62.51
C[NH+]1CCC(NN=CC2=CC=CC(OCC3=CC=CC=C3C(=O)[O-])=C2)CC1	REAL300000081324	0	52	0.0	-77.16	411.99	11.04	-66.12
C[NH+]1CCC(NN=CC2=CC=C(OCC(=O)[O-])C([N+](=O)[O-])=C2)CC1	REAL300000081325	0	44	0.0	-84.08	364.93	9.23	-74.85
CC1=C(C(=O)[O-])OC(COC2=CC=C(C=NNC3CC[NH+](C)CC3)C=C2)=C1	REAL300000081326	0	52	0.0	-80.15	419.95	10.12	-70.03
C[NH+]1CCC(NN=CC2=CC=CC(OCC3=CC=CC(C(=O)[O-])=C3)=C2)CC1	REAL300000081327	0	52	0.0	-80.05	419.19	11.05	-69.00
COC1=CC=C(C=NNC2CC[NH+](C)CC2)C(OCC(=O)[O-])=C1	REAL300000081328	0	46	0.0	-63.12	366.11	7.62	-55.50
C[NH+]1CCC(NN=CC2=CC=C(OC(F)(F)C(=O)[O-])C=C2)CC1	REAL300000081329	0	42	0.0	-70.44	348.27	7.60	-62.84
CN1C(C(=O)[O-])=CC(Br)=C1C=NNC1CC[NH+](C)CC1	REAL300000081330	0	39	0.0	-74.31	329.15	7.65	-66.66
C[NH+]1CCC(NN=CC2=CC=C(OCC(=O)[O-])C(Br)=C2)CC1	REAL300000081331	0	42	0.0	-74.65	359.34	8.70	-65.95
COC1=C2OC(C(=O)[O-])=CC2=C(C=NNC2CC[NH+](C)CC2)C=C1	REAL300000081332	0	45	0.0	-77.13	363.52	7.85	-69.28
C[NH+]1CCC(NN=CC2=C3C=CC(C(=O)[O-])=CC3=NN2)CC1	REAL300000081333	0	41	0.0	-83.10	332.85	6.35	-76.75
C[NH+]1CCC(NN=CC2=NNC3=CC(C(=O)[O-])=CC=C23)CC1	REAL300000081333	1	41	0.0	-76.60	336.00	6.30	-70.30
COC1=CC(C=NNC2CC[NH+](C)CC2)=C([N+](=O)[O-])C=C1OCC(=O)[O-]	REAL300000081334	0	48	0.0	-78.79	390.50	8.19	-70.60
CN(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1C=NNC1CC[NH+](C)CC1	REAL300000081335	0	49	0.0	-54.63	395.62	9.88	-44.75
COC1=CC(C=NNC2CC[NH+](C)CC2)=CC=C1OCCC(=O)[O-]	REAL300000081336	0	49	0.0	-73.63	389.11	8.10	-65.53
CC(OC1=CC=C(C=NNC2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300000081337	0	45	0.0	-74.61	356.82	8.67	-65.94
C[NH+]1CCC(NN=CC2=CN(CC(=O)[O-])C3=CC=CC=C23)CC1	REAL300000081338	0	45	0.0	-71.93	362.56	10.07	-61.86
CC(=NNC1CC[NH+](C)CC1)C1=CC=CC(OCCCC(=O)[O-])=C1	REAL300000081339	0	51	0.0	-72.61	395.24	9.52	-63.09
CC(CCC1=CC=C(OC(C)C(=O)[O-])C=C1)N=NC1CC[NH+](C)CC1	REAL300000081340	0	54	0.0	-74.60	420.40	9.38	-65.22
CC(CCC1=CC=C(OCC(=O)[O-])C=C1)N=NC1CC[NH+](C)CC1	REAL300000081341	0	51	0.0	-73.74	402.52	8.79	-64.95
CC(=NNC1CC[NH+](C)CC1)C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000081342	0	48	0.0	-73.44	370.49	9.21	-64.23
CC(CCC1=CC=C(OCCC(=O)[O-])C=C1)N=NC1CC[NH+](C)CC1	REAL300000081343	0	54	0.0	-70.83	423.47	8.91	-61.92
CCC(=NNC1CC[NH+](C)CC1)C1=CC=C(OCCCCC(=O)[O-])C=C1	REAL300000081344	0	57	0.0	-72.56	438.19	11.02	-61.54
C[NH+]1CCC(N=NC2CC(C(=O)[O-])(C3=CC=CC=C3)C2)CC1	REAL300000081345	0	45	0.0	-68.94	350.86	7.74	-61.20
COC1=CC(C(C)=NNC2CC[NH+](C)CC2)=CC=C1OCCCC(=O)[O-]	REAL300000081346	0	55	0.0	-78.67	424.42	9.43	-69.24
CC(=NNC1CC[NH+](C)CC1)C1=CC(Br)=CC=C1OCC(=O)[O-]	REAL300000081347	0	45	0.0	-58.01	371.81	9.51	-48.50
CC(=NNC1CC[NH+](C)CC1)C1=C(CC(=O)[O-])C2=CC=C(C)C=C2O1	REAL300000081348	0	50	0.0	-70.42	392.88	10.51	-59.91
C[NH+]1CCC(NN=CC2=CC=CC(OC(C(=O)[O-])C3=CC=CC=C3)=C2)CC1	REAL300000081349	0	52	0.0	-78.05	416.69	11.72	-66.33
C[NH+]1CCC(NN=CC2=CNC3=CC=C(C(=O)[O-])C=C23)CC1	REAL300000081350	0	42	0.0	-76.45	338.54	7.82	-68.63
COC1=CC(C=NNC2CC[NH+](C)CC2)=CC(Cl)=C1OC(C)C(=O)[O-]	REAL300000081351	0	49	0.0	-82.75	401.54	8.97	-73.78
C[NH+]1CCC(NN=CC2=CC(C(=O)[O-])=C(Cl)S2)CC1	REAL300000081352	0	35	0.0	-73.77	313.24	7.33	-66.44
C[NH+]1CCC(NN=CC2=CC=C(C3=CC=C(O)C(C(=O)[O-])=C3)O2)CC1	REAL300000081353	0	46	0.0	-80.86	377.84	7.55	-73.31
CN(C)C1=CC=C(C(=O)[O-])C=C1C=NNC1CC[NH+](C)CC1	REAL300000081354	0	46	0.0	-75.25	359.76	8.64	-66.61
C[NH+]1CCC(NN=CC2=CC=C(C3=CC=CC(C(=O)[O-])=C3)S2)CC1	REAL300000081355	0	45	0.0	-79.24	376.44	10.48	-68.76
C[NH+]1CCC(NN=CC2=CSC3=CC=C(C(=O)[O-])C=C23)CC1	REAL300000081356	0	41	0.0	-67.52	341.45	9.21	-58.31
C[NH+]1CCC(NN=CC2=CC(C(=O)[O-])=CC=C2Br)CC1	REAL300000081357	0	38	0.0	-71.03	323.73	8.63	-62.40
C[NH+]1CCC(NN=CC2=CC(C(=O)[O-])=CC(Br)=C2O)CC1	REAL300000081358	0	39	0.0	-71.36	336.92	5.95	-65.41
C[NH+]1CCC(NN=CC2=CC=C(OCC3=CC=C(C(=O)[O-])O3)C=C2)CC1	REAL300000081359	0	49	0.0	-78.90	401.97	9.53	-69.37
C[NH+]1CCC(NN=CC2=CC(I)=CC(C(=O)[O-])=C2)CC1	REAL300000081360	0	38	0.0	-71.22	335.68	8.86	-62.36
C[NH+]1CCC(NN=CC2=C(O)C(C(=O)[O-])=CC3=CC=CC=C32)CC1	REAL300000081361	0	45	0.0	-76.90	357.27	8.24	-68.66
C[NH+]1CCC(NN=CC2=CC=C(C3=CC=CC(CC(=O)[O-])=C3)C=C2)CC1	REAL300000081362	0	51	0.0	-76.03	404.20	11.96	-64.07
C[NH+]1CCC(NN=CC2=C(C(=O)[O-])C=C(Cl)S2)CC1	REAL300000081363	0	35	0.0	-66.47	312.70	7.27	-59.20
CCOC1=CC(C=NNC2CC[NH+](C)CC2)=CC=C1OCC(=O)[O-]	REAL300000081364	0	49	0.0	-80.01	390.01	8.74	-71.27
C[NH+]1CCC(NN=CC2=CN(C3CCOCC3)N=C2C(=O)[O-])CC1	REAL300000081365	0	49	0.0	-73.97	379.04	6.79	-67.18
COC1=CC=C(C)C(C=NNC2CC[NH+](C)CC2)=C1C(=O)[O-]	REAL300000081366	0	45	0.0	-75.44	344.97	8.53	-66.91
CN1C2=CC=C(F)C=C2C(C=NNC2CC[NH+](C)CC2)=C1C(=O)[O-]	REAL300000081367	0	45	0.0	-67.45	367.55	9.49	-57.96
C[NH+]1CCC(NN=CC2=C(C(=O)[O-])C=C(Br)S2)CC1	REAL300000081368	0	35	0.0	-66.52	317.33	7.39	-59.13
C[NH+]1CCC(NN=CC2=CNC3=C(C(=O)[O-])C=CC=C23)CC1	REAL300000081369	0	42	0.0	-76.99	336.24	7.95	-69.04
C[NH+]1CCC(NN=CC2=CC=C3OC(C(=O)[O-])=CC3=C2)CC1	REAL300000081370	0	41	0.0	-77.57	337.20	8.52	-69.05
C[NH+]1CCC(NN=CC2=CC=CN3C(C(=O)[O-])=CN=C23)CC1	REAL300000081371	0	41	0.0	-78.46	332.76	8.07	-70.39
C[NH+]1CCC(NN=CC2=CC=CC=C2OCC2=CC=C(C(=O)[O-])O2)CC1	REAL300000081372	0	49	0.0	-62.14	399.71	9.88	-52.26
C[NH+]1CCC(NN=CC2=CC=CC(Br)=C2C(=O)[O-])CC1	REAL300000081373	0	38	0.0	-66.89	318.37	8.02	-58.87
C[NH+]1CCC(NN=CC2=C(C(=O)[O-])C=CC3=C2OCO3)CC1	REAL300000081374	0	41	0.0	-65.92	331.90	6.73	-59.19
C[NH+]1CCC(NN=CC2=CC=C(OCC(=O)[O-])C(Cl)=C2)CC1	REAL300000081375	0	42	0.0	-75.13	354.96	8.59	-66.54
C[NH+]1CCC(NN=CC2=CC=C(S(=O)(=O)NCC(=O)[O-])C=C2)CC1	REAL300000081376	0	46	0.0	-73.76	384.13	4.28	-69.48
C[NH+]1CCC(NN=CC2=C3C=C(C(=O)[O-])SC3=CC=C2F)CC1	REAL300000081377	0	41	0.0	-71.62	348.25	9.35	-62.27
C[NH+]1CCC(NN=CC2=NN([C@H]3C[C@H](C(=O)[O-])C3)C=C2)CC1	REAL300000081378	0	45	0.0	-72.28	355.82	7.29	-64.99
CC[NH+](CC)CC1=CC(C(C)=NNC2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1O	REAL300000081464	0	51	0.0	-76.60	393.87	9.40	-67.20
CC(=NNC1=CC=C(F)C(C(=O)[O-])=C1)C1=CC=C(O)C(C[NH+]2CCCCC2)=C1	REAL300000081466	0	52	0.0	-76.99	411.30	10.01	-66.98
COC1=CC=C(C(C)=NNC2=CC=C(F)C(C(=O)[O-])=C2)C=C1C[NH+]1CCCCC1	REAL300000081645	0	55	0.0	-74.71	424.69	12.22	-62.49
COC1=CC=C(C(C)=NNC2=CC=C(F)C(C(=O)[O-])=C2)C=C1C[NH+]1CCCC1	REAL300000081646	0	52	0.0	-74.35	414.19	11.31	-63.04
CC[NH+](CC)CCN1C(=O)C(=NNC2=CC=C(F)C(C(=O)[O-])=C2)C2=CC=CC=C21	REAL300000081751	0	52	0.0	-78.32	420.07	11.69	-66.63
O=C([O-])C1=CC(N=NC2CC[N@H+](CC3=CC=CC=C3)C2)=CC=C1F	REAL300000081848	0	42	0.0	-77.72	350.00	9.56	-68.16
O=C([O-])C1=CC(N=NC2CC[N@@H+](CC3=CC=CC=C3)C2)=CC=C1F	REAL300000081848	1	42	0.0	-77.30	350.04	9.56	-67.74
O=C([O-])C1=CC(NN=CC2=CC=C(OCC[NH+]3CCCC3)C=C2)=CC=C1F	REAL300000081891	0	49	0.0	-80.39	399.06	11.31	-69.08
CC1=NC(CN=NC2=CC=C(F)C(C(=O)[O-])=C2)=C2C=CC=CN12	REAL300000081892	1	36	0.0	-64.41	320.03	8.78	-55.63
CC1=[NH+]C(CN=NC2=CC=C(F)C(C(=O)[O-])=C2)=C2C=CC=CN12	REAL300000081892	1	36	0.0	-64.41	320.03	8.78	-55.63
CC[N@@H+]1CCCC1CN1C(C)=CC(C=NNC2=CC=C(F)C(C(=O)[O-])=C2)=C1C	REAL300000081895	0	55	0.0	-84.21	420.02	12.36	-71.85
CC[N@H+]1CCCC1CN1C(C)=CC(C=NNC2=CC=C(F)C(C(=O)[O-])=C2)=C1C	REAL300000081895	1	55	0.0	-84.21	420.02	12.36	-71.85
CC1=CC(C=NNC2=CC=C(F)C(C(=O)[O-])=C2)=C(C)N1CCN1CCOCC1	REAL300000081923	0	53	0.0	-89.22	421.45	10.68	-78.54
CC1=CC(C=NNC2=CC=C(F)C(C(=O)[O-])=C2)=C(C)N1CC[NH+]1CCOCC1	REAL300000081923	1	53	0.0	-89.22	421.45	10.68	-78.54
C[NH+](C)CCOC1=CC=C(C=NNC2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000081947	0	45	0.0	-80.81	375.51	10.02	-70.79
CN1CCN(C2=CC=C(C=NNC3=CC=C(F)C(C(=O)[O-])=C3)C=C2F)CC1	REAL300000081985	0	47	0.0	-85.08	389.39	9.72	-75.36
C[NH+]1CCN(C2=CC=C(C=NNC3=CC=C(F)C(C(=O)[O-])=C3)C=C2F)CC1	REAL300000081985	1	47	0.0	-85.08	389.39	9.72	-75.36
CC1=NN2C(=NC3=CC=CC=C3C2=O)C1=CNNC1=CC=C(F)C(C(=O)[O-])=C1	REAL300000081991	0	42	0.0	-99.74	362.67	8.88	-90.86
CC1=NN2C(=NC3=CC=CC=C3C2=O)C1=C[NH2+]NC1=CC=C(F)C(C(=O)[O-])=C1	REAL300000081991	1	42	0.0	-99.74	362.67	8.88	-90.86
CC(=NNC1=CC=C(F)C(C(=O)[O-])=C1)C1=CC=CC(OCC[NH+](C)C)=C1	REAL300000082028	0	48	0.0	-79.26	389.36	10.57	-68.69
CC(=NNC1=CC=C(F)C(C(=O)[O-])=C1)C1=CC=C(O)C(C[NH+]2CCOCC2)=C1	REAL300000082030	1	50	0.0	-81.64	401.65	7.70	-73.94
CC(=NNC1=CC=C(F)C(C(=O)[O-])=C1)C1=CC=C(OCC[NH+](C)C)C=C1	REAL300000082062	0	48	0.0	-82.47	389.35	10.59	-71.88
COC(=O)CCC[NH+]1CCC(N=NC2=CC=C(F)C(C(=O)[O-])=C2)CC1	REAL300000082111	0	47	0.0	-83.81	383.60	8.81	-75.00
O=C([O-])C1=CC(N=NC2CC[NH+](CCN3CCOCC3)CC2)=CC=C1F	REAL300000082199	0	51	0.0	-78.92	395.44	5.73	-73.19
CC1C[N@H+](CC2=CC=CC=N2)CCC1N=NC1=CC=C(F)C(C(=O)[O-])=C1	REAL300000082271	0	47	0.0	-70.96	373.50	9.15	-61.81
CC1C[N@@H+](CC2=CC=CC=N2)CCC1N=NC1=CC=C(F)C(C(=O)[O-])=C1	REAL300000082271	1	47	0.0	-76.89	374.36	9.47	-67.42
CCOCCC[N@@H+]1CCC(N=NC2=CC=C(F)C(C(=O)[O-])=C2)C(C)C1	REAL300000082289	0	51	0.0	-77.62	396.86	8.78	-68.84
CCOCCC[N@H+]1CCC(N=NC2=CC=C(F)C(C(=O)[O-])=C2)C(C)C1	REAL300000082289	1	51	0.0	-74.92	396.02	8.85	-66.07
CC(N=NC1=CC=C(F)C(C(=O)[O-])=C1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300000082307	1	49	0.0	-76.01	397.74	9.49	-66.52
CC(N=NC1=CC=C(F)C(C(=O)[O-])=C1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300000082307	1	49	0.0	-76.05	397.80	9.50	-66.55
C[N@H+](CC1=CC=CC=C1)CC(C)(C)CN=NC1=CC=C(F)C(C(=O)[O-])=C1	REAL300000082361	0	50	0.0	-78.40	388.26	11.04	-67.36
C[N@@H+](CC1=CC=CC=C1)CC(C)(C)CN=NC1=CC=C(F)C(C(=O)[O-])=C1	REAL300000082361	1	50	0.0	-78.37	391.80	11.17	-67.20
O=C([O-])C1=CC(N=NC2CCCCC2[NH+]2CCCCCC2)=CC=C1F	REAL300000082372	0	51	0.0	-70.80	368.48	10.45	-60.35
CC1CC(C)C[NH+](C2CCCCC2N=NC2=CC=C(F)C(C(=O)[O-])=C2)C1	REAL300000082376	0	54	0.0	-72.20	396.64	11.23	-60.97
O=C([O-])C1=CC(N=NCC2(C[NH+]3CCOCC3)CCCCC2)=CC=C1F	REAL300000082386	0	52	0.0	-69.58	384.32	8.66	-60.92
CC1C[N@H+](CC2=CC=CC=C2)CC1N=NC1=CC=C(F)C(C(=O)[O-])=C1	REAL300000082404	0	45	0.0	-76.31	370.17	10.14	-66.17
CC1C[N@@H+](CC2=CC=CC=C2)CC1N=NC1=CC=C(F)C(C(=O)[O-])=C1	REAL300000082404	1	45	0.0	-74.72	371.22	10.17	-64.55
O=C([O-])C1=CC(N=NC2CCCCC2[NH+]2CCCCC2)=CC=C1F	REAL300000082420	0	48	0.0	-69.87	360.60	9.55	-60.32
C[NH+]1CCN(C2=NC=C(C=NNC3=CC=C(F)C(C(=O)[O-])=C3)C=N2)CC1	REAL300000082427	1	45	0.0	-82.58	373.65	9.00	-73.58
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1N=NC1=CC=C(F)C(C(=O)[O-])=C1	REAL300000082472	0	51	0.0	-79.28	401.20	11.55	-67.73
CC1CC(N=NC2=CC=C(F)C(C(=O)[O-])=C2)C[N@@H+]1CC1=CC=CC=C1	REAL300000082509	0	45	0.0	-74.13	368.13	10.09	-64.04
CC1CC(N=NC2=CC=C(F)C(C(=O)[O-])=C2)C[N@H+]1CC1=CC=CC=C1	REAL300000082509	1	45	0.0	-74.57	368.92	10.03	-64.54
O=C([O-])C1=CC(N=NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2=CC=CC=C2)=CC=C1F	REAL300000082554	0	49	0.0	-71.94	373.38	10.33	-61.61
O=C([O-])C1=CC(N=NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2=CC=CC=C2)=CC=C1F	REAL300000082554	1	49	0.0	-76.39	370.79	11.70	-64.69
O=C([O-])C1=CC(N=NC2CCCC3C[N@H+](CC4=CC=CC=C4)CC32)=CC=C1F	REAL300000082628	0	52	0.0	-77.93	410.03	11.67	-66.26
O=C([O-])C1=CC(N=NC2CCCC3C[N@@H+](CC4=CC=CC=C4)CC32)=CC=C1F	REAL300000082628	1	52	0.0	-77.65	410.07	11.68	-65.97
C[NH+]1CCN(C2=CC=C(C=NNC3=CC=C(F)C(C(=O)[O-])=C3)C=C2)CC1	REAL300000082651	0	47	0.0	-83.17	379.34	9.43	-73.74
CN(C)C1=CC=[NH+]C=C1C=NNC1=CC=C(F)C(C(=O)[O-])=C1	REAL300000082661	0	37	0.0	-82.44	318.12	7.84	-74.60
CC1CC[N@H+](CC2=CC=CC=C2)CC1N=NC1=CC=C(F)C(C(=O)[O-])=C1	REAL300000082665	0	48	0.0	-70.19	383.20	11.22	-58.97
CC1CC[N@@H+](CC2=CC=CC=C2)CC1N=NC1=CC=C(F)C(C(=O)[O-])=C1	REAL300000082665	1	48	0.0	-70.14	383.14	11.22	-58.92
C[NH+]1CCC2(CC1)CC(=NNC1=CC=C(F)C(C(=O)[O-])=C1)C1=CC=CC=C1O2	REAL300000082712	0	50	0.0	-76.47	392.91	11.09	-65.38
CC1CC(N=NC2=CC=C(F)C(C(=O)[O-])=C2)C[N@H+](CC2=CC=CC=C2)C1	REAL300000082750	0	48	0.0	-78.02	380.09	10.77	-67.25
CC1CC(N=NC2=CC=C(F)C(C(=O)[O-])=C2)C[N@@H+](CC2=CC=CC=C2)C1	REAL300000082750	1	48	0.0	-79.64	374.40	11.64	-68.00
O=C([O-])C1=CC(N=NC2CC[NH+](CCC(F)(F)F)CC2)=CC=C1F	REAL300000082772	0	41	0.0	-82.11	346.73	8.41	-73.70
CC(N=NC1=CC=C(F)C(C(=O)[O-])=C1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300000082773	0	48	0.0	-77.68	387.90	11.03	-66.65
CC(N=NC1=CC=C(F)C(C(=O)[O-])=C1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300000082773	1	48	0.0	-77.75	387.48	11.05	-66.70
CC(C[NH+]1CC2=CC=CC=C2C1)N=NC1=CC=C(F)C(C(=O)[O-])=C1	REAL300000082792	1	42	0.0	-77.48	344.35	9.86	-67.62
C[N@H+](CC1=CC=CC=C1)C1CCC(N=NC2=CC=C(F)C(C(=O)[O-])=C2)CC1	REAL300000082891	0	51	0.0	-76.50	397.92	11.62	-64.88
C[N@@H+](CC1=CC=CC=C1)C1CCC(N=NC2=CC=C(F)C(C(=O)[O-])=C2)CC1	REAL300000082891	1	51	0.0	-77.43	400.31	11.35	-66.08
O=C([O-])C1=CC(N[NH2+]C2=CC(=O)N3CCCCC23)=CC=C1F	REAL300000083024	1	38	0.0	-86.83	313.98	6.85	-79.98
NC1=CC=C2C(=NNC3=CC=C(F)C(C(=O)[O-])=C3)CCCC2=[NH+]1	REAL300000083066	0	38	0.0	-76.13	317.76	7.38	-68.75
O=C([O-])C1=CC(N=NC2CC[N@H+](CC3=CC=CC=C3)C3CCCC32)=CC=C1F	REAL300000083093	0	52	0.0	-72.56	405.25	12.07	-60.49
O=C([O-])C1=CC(N=NC2CC[N@@H+](CC3=CC=CC=C3)C3CCCC32)=CC=C1F	REAL300000083093	1	52	0.0	-72.42	405.09	12.10	-60.32
C[NH+](C)CC(C)(CN=NC1=CC=C(F)C(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300000083133	0	47	0.0	-72.86	361.88	10.86	-62.00
CC1C(N=NC2=CC=C(F)C(C(=O)[O-])=C2)CCC[N@@H+]1CC1=CC=CC=C1	REAL300000083159	0	48	0.0	-74.49	381.46	10.74	-63.75
CC1C(N=NC2=CC=C(F)C(C(=O)[O-])=C2)CCC[N@H+]1CC1=CC=CC=C1	REAL300000083159	1	48	0.0	-75.72	379.08	11.08	-64.64
CC(=NNC1=CC=C(F)C(C(=O)[O-])=C1)C1=CC=C(C[NH+](C)C)C=C1	REAL300000083237	0	44	0.0	-83.47	359.48	10.81	-72.66
CC(=NNC1=CC=C(F)C(C(=O)[O-])=C1)C1=CC=CC(C[NH+](C)C)=C1	REAL300000083238	0	44	0.0	-79.82	359.50	10.81	-69.01
COCC[NH+]1C2CCC1CC(N=NC1=CC=C(F)C(C(=O)[O-])=C1)C2	REAL300000083240	0	46	0.0	-71.30	344.72	7.93	-63.37
CC(C)(O)C[NH+]1CCC(N=NC2=CC=C(F)C(C(=O)[O-])=C2)CC1	REAL300000083281	0	45	0.0	-73.17	353.40	5.93	-67.24
CC1C(N=NC2=CC=C(F)C(C(=O)[O-])=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300000083290	0	45	0.0	-75.53	360.14	10.07	-65.46
CC1C(N=NC2=CC=C(F)C(C(=O)[O-])=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300000083290	1	45	0.0	-75.18	366.69	10.34	-64.84
C[NH+](C)CCN1C(=O)C(=NNC2=CC=C(F)C(C(=O)[O-])=C2)C2=CC=CC=C21	REAL300000083296	0	46	0.0	-81.08	384.35	10.34	-70.74
O=C([O-])C1=CC(N=NC2CC[N@H+](C3CC3)C(C3=CC=CC=C3)C2)=CC=C1F	REAL300000083332	0	49	0.0	-69.56	388.12	11.61	-57.95
O=C([O-])C1=CC(N=NC2CC[N@@H+](C3CC3)C(C3=CC=CC=C3)C2)=CC=C1F	REAL300000083332	1	49	0.0	-68.36	376.48	10.82	-57.54
CC1OC2(CC1N=NC1=CC=C(F)C(C(=O)[O-])=C1)CC[NH+](C)CC2	REAL300000083403	0	46	0.0	-76.05	359.59	7.90	-68.15
O=C([O-])C1=CC(N=NC2CCC[N@@H+]3CCCCC23)=CC=C1F	REAL300000083422	0	42	0.0	-73.12	329.42	8.43	-64.69
O=C([O-])C1=CC(N=NC2CCC[N@H+]3CCCCC23)=CC=C1F	REAL300000083422	1	42	0.0	-72.56	326.98	8.74	-63.82
CC1(C)CC(N=NC2=CC=C(F)C(C(=O)[O-])=C2)C[N@@H+]1CC1=CC=CC=C1	REAL300000083440	0	48	0.0	-69.76	380.69	10.24	-59.52
CC1(C)CC(N=NC2=CC=C(F)C(C(=O)[O-])=C2)C[N@H+]1CC1=CC=CC=C1	REAL300000083440	1	48	0.0	-70.44	384.64	10.43	-60.01
CN1C=C[NH+]=C1C1CCC(N=NC2=CC=C(F)C(C(=O)[O-])=C2)C1	REAL300000083520	1	40	0.0	-70.69	334.28	8.63	-62.06
O=C([O-])C1=CC(NN=CC2=CC=NN2C2=CC=[NH+]C=C2)=CC=C1F	REAL300000083526	1	36	0.0	-79.36	322.29	7.83	-71.53
CC(C)(C)C1(CN=NC2=CC=C(F)C(C(=O)[O-])=C2)CC[N@H+](CC2=CC=CC=C2)C1	REAL300000083527	0	57	0.0	-75.71	429.94	12.29	-63.42
CC(C)(C)C1(CN=NC2=CC=C(F)C(C(=O)[O-])=C2)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300000083527	1	57	0.0	-75.31	429.49	12.11	-63.20
C[NH+](C)C1(C)CCC(N=NC2=CC=C(F)C(C(=O)[O-])=C2)CC1	REAL300000083627	0	44	0.0	-72.42	326.56	8.04	-64.38
O=C([O-])C1=CC(N=NC2CCC[N@@H+]3CCSCC23)=CC=C1F	REAL300000083662	1	40	0.0	-77.34	328.65	8.11	-69.23
O=C([O-])C1=CC(N=NC2CCC[N@H+]3CCSCC23)=CC=C1F	REAL300000083662	1	40	0.0	-77.41	328.65	8.12	-69.29
O=C([O-])C1=CC(N=NC2CC[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@H]23)=CC=C1F	REAL300000083720	0	49	0.0	-77.78	389.00	11.36	-66.42
O=C([O-])C1=CC(N=NC2CC[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@H]23)=CC=C1F	REAL300000083720	1	49	0.0	-79.63	389.70	11.09	-68.54
CC1([NH+]2CCCC2)CCC(N=NC2=CC=C(F)C(C(=O)[O-])=C2)CC1	REAL300000083732	0	48	0.0	-72.25	355.57	8.94	-63.31
O=C([O-])C1=CC(N=NC2CC3CC(C2)[N@H+](CC2=CC=CC=C2)C3)=CC=C1F	REAL300000083747	0	49	0.0	-76.31	378.44	11.39	-64.92
O=C([O-])C1=CC(N=NC2CC3CC(C2)[N@@H+](CC2=CC=CC=C2)C3)=CC=C1F	REAL300000083747	1	49	0.0	-76.93	369.61	10.13	-66.80
CC1CCC(N=NC2=CC=C(F)C(C(=O)[O-])=C2)C[N@@H+]1CC1=CC=CC=C1	REAL300000083970	0	48	0.0	-75.99	375.90	10.35	-65.64
CC1CCC(N=NC2=CC=C(F)C(C(=O)[O-])=C2)C[N@H+]1CC1=CC=CC=C1	REAL300000083970	1	48	0.0	-76.00	375.86	10.35	-65.65
C[NH+](C)CCC1=CC=C(C=NNC2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300000084020	0	44	0.0	-83.21	368.15	11.10	-72.11
C[N@@H+]1C[C@@H]2CCCC(N=NC3=CC=C(F)C(C(=O)[O-])=C3)[C@@H]2C1	REAL300000084098	0	42	0.0	-78.12	328.77	8.17	-69.95
C[N@H+]1C[C@@H]2CCCC(N=NC3=CC=C(F)C(C(=O)[O-])=C3)[C@@H]2C1	REAL300000084098	1	42	0.0	-78.99	328.32	8.26	-70.73
O=C([O-])C1=CC(N=NC2CCC3CCC(C2)[N@@H+]3CC2=CC=CC=C2)=CC=C1F	REAL300000084330	0	52	0.0	-74.74	388.95	11.08	-63.66
O=C([O-])C1=CC(N=NC2CCC3CCC(C2)[N@H+]3CC2=CC=CC=C2)=CC=C1F	REAL300000084330	1	52	0.0	-72.82	394.09	11.61	-61.21
CCC(=NNC(C)C1=CC=C(O)C(C[NH+](CC)CC)=C1)C(=O)[O-]	REAL300000085038	0	50	0.0	-66.08	369.38	7.22	-58.86
CCC(NN=C(C)C1=CC=C(O)C(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300000085040	0	51	0.0	-60.65	391.34	8.04	-52.61
CCC(=NNC(C)C1=CC=C(OC)C(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300000085152	0	54	0.0	-67.22	405.46	9.98	-57.24
CCC(NN=C(C)C1=CC=C(OC)C(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300000085153	0	51	0.0	-60.10	394.91	9.32	-50.78
CCC(NN=C1C(=O)N(CC[NH+](CC)CC)C2=CC=CC=C21)C(=O)[O-]	REAL300000085240	0	51	0.0	-71.62	400.67	9.70	-61.92
CCC(NN=CC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300000085330	0	48	0.0	-70.96	381.23	9.13	-61.83
CCC(=NNCC1=C(C)N(CC2CCC[N@H+]2CC)C(C)=C1)C(=O)[O-]	REAL300000085332	0	54	0.0	-69.76	395.36	9.88	-59.88
CCC(=NNCC1=C(C)N(CC2CCC[N@@H+]2CC)C(C)=C1)C(=O)[O-]	REAL300000085332	1	54	0.0	-69.76	395.36	9.88	-59.88
CCC(NN=CC1=C(C)N(CCN2CCOCC2)C(C)=C1)C(=O)[O-]	REAL300000085354	0	52	0.0	-78.86	403.97	8.74	-70.12
CCC(NN=CC1=C(C)N(CC[NH+]2CCOCC2)C(C)=C1)C(=O)[O-]	REAL300000085354	1	52	0.0	-78.86	403.97	8.74	-70.12
CCC(NN=CC1=CC=C(N2CCN(C)CC2)C(F)=C1)C(=O)[O-]	REAL300000085385	0	46	0.0	-79.20	369.45	7.74	-71.46
CCC(NN=CC1=CC=C(N2CC[NH+](C)CC2)C(F)=C1)C(=O)[O-]	REAL300000085385	1	46	0.0	-79.20	369.45	7.74	-71.46
CCC(NN=C(C)C1=CC=CC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300000085409	0	47	0.0	-68.82	369.41	8.61	-60.21
CCC(=NNC(C)C1=CC=C(O)C(CN2CCOCC2)=C1)C(=O)[O-]	REAL300000085410	0	49	0.0	-68.62	377.34	5.52	-63.10
CCC(=NNC(C)C1=CC=C(O)C(C[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300000085410	1	49	0.0	-68.62	377.34	5.52	-63.10
CCC(=NNC1CCN(CC2=C(F)C=CC=C2Cl)CC1)C(=O)[O-]	REAL300000085428	0	44	0.0	-59.24	360.81	9.39	-49.85
CCC(=NNC1CC[NH+](CC2=C(F)C=CC=C2Cl)CC1)C(=O)[O-]	REAL300000085428	1	44	0.0	-59.24	360.81	9.39	-49.85
CCC(=NNC(C)C1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300000085431	0	47	0.0	-70.28	364.95	8.39	-61.89
CCC(NN=C(C)C1=CC=C(S(=O)(=O)NCCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300000085444	0	54	0.0	-75.66	438.66	6.02	-69.64
CCC(=NNC1CC[NH+](CCN2CCOCC2)CC1)C(=O)[O-]	REAL300000085515	0	50	0.0	-67.14	372.92	4.60	-62.54
CCC(NN=C1CC[N@H+](CC2=CC=CC=N2)CC1C)C(=O)[O-]	REAL300000085558	0	46	0.0	-61.91	354.86	8.03	-53.88
CCC(NN=C(C)C1CN(CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300000085570	0	48	0.0	-58.36	365.49	7.95	-50.41
CCC(NN=C(C)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300000085570	1	48	0.0	-58.03	375.88	8.48	-49.55
CCC(NN=C(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300000085570	1	48	0.0	-58.03	375.88	8.48	-49.55
CCC(NN=CC(C)(C)C[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300000085607	0	49	0.0	-69.98	373.32	10.12	-59.86
CCC(NN=CC(C)(C)C[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300000085607	1	49	0.0	-69.98	373.32	10.12	-59.86
CCC(NN=C1CCCCC1[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300000085614	0	53	0.0	-56.94	378.72	10.04	-46.90
CCC(NN=CC1=CN=C(N2CCN(C)CC2)N=C1)C(=O)[O-]	REAL300000085632	0	44	0.0	-73.44	354.35	7.00	-66.44
CCC(NN=CC1=CN=C(N2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300000085632	1	44	0.0	-73.44	354.35	7.00	-66.44
CCC(NN=C1C(C)C[NH+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300000085658	0	50	0.0	-64.54	378.16	10.54	-54.00
CCC(=NNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1=CC=CC=C1)C(=O)[O-]	REAL300000085701	0	48	0.0	-53.66	338.15	10.12	-43.54
CCC(=NNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1=CC=CC=C1)C(=O)[O-]	REAL300000085701	1	48	0.0	-53.66	338.15	10.12	-43.54
CCC(NN=C1CCCC2C[N@H+](CC3=CC=CC=C3)CC12)C(=O)[O-]	REAL300000085733	0	51	0.0	-69.21	386.76	10.81	-58.40
CCC(NN=C1CCCC2C[N@@H+](CC3=CC=CC=C3)CC12)C(=O)[O-]	REAL300000085733	1	51	0.0	-69.21	386.76	10.81	-58.40
CCC(NN=C1CN(CC2=CC=CC=C2)CCC1C)C(=O)[O-]	REAL300000085756	0	47	0.0	-65.68	362.42	9.99	-55.69
CCC(NN=C1C[N@H+](CC2=CC=CC=C2)CCC1C)C(=O)[O-]	REAL300000085756	1	47	0.0	-66.35	362.86	9.98	-56.37
CCC(NN=C1C[N@@H+](CC2=CC=CC=C2)CCC1C)C(=O)[O-]	REAL300000085756	1	47	0.0	-66.35	362.86	9.98	-56.37
CCC(NN=C1CC2(CC[NH+](C)CC2)OC2=CC=CC=C21)C(=O)[O-]	REAL300000085784	0	49	0.0	-76.89	373.63	9.12	-67.77
CCC(NN=C1CC(C)CN(CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300000085796	0	47	0.0	-66.52	363.91	9.87	-56.65
CCC(NN=C1CC(C)C[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300000085796	1	47	0.0	-67.95	358.42	9.92	-58.03
CCC(NN=C1CC(C)C[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300000085796	1	47	0.0	-67.95	358.42	9.92	-58.03
CCC(=NNC(C)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300000085806	0	47	0.0	-53.37	364.16	9.83	-43.54
CCC(=NNC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300000085806	1	47	0.0	-53.37	364.16	9.83	-43.54
CCC(NN=C1CCC([N@H+](C)CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300000085849	0	50	0.0	-75.26	376.86	10.44	-64.82
CCC(NN=C1CCC([N@@H+](C)CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300000085849	1	50	0.0	-75.26	376.86	10.44	-64.82
CCC(NN=C1CC[N@H+](CC2=CC=CC=C2)C2CCCC12)C(=O)[O-]	REAL300000085943	0	51	0.0	-65.63	384.47	10.84	-54.79
CCC(NN=C1CC[N@@H+](CC2=CC=CC=C2)C2CCCC12)C(=O)[O-]	REAL300000085943	1	51	0.0	-65.63	384.47	10.84	-54.79
CCC(NN=C1CCCN(CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300000085982	0	47	0.0	-61.51	355.18	9.48	-52.03
CCC(NN=C1CCC[N@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300000085982	1	47	0.0	-62.70	358.56	9.91	-52.79
CCC(NN=C1CCC[N@@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300000085982	1	47	0.0	-62.70	358.56	9.91	-52.79
CCC(NN=C1C(=O)N(CC[NH+](C)C)C2=CC=CC=C21)C(=O)[O-]	REAL300000086037	0	45	0.0	-74.66	364.97	8.37	-66.29
CCC(NN=C1CC[N@H+](C2CC2)C(C2=CC=CC=C2)C1)C(=O)[O-]	REAL300000086060	0	48	0.0	-63.27	365.70	10.43	-52.84
CCC(NN=C1CC[N@@H+](C2CC2)C(C2=CC=CC=C2)C1)C(=O)[O-]	REAL300000086060	1	48	0.0	-66.86	355.09	9.76	-57.10
CCC(NN=C1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300000086102	1	47	0.0	-60.15	359.29	9.28	-50.87
CCC(NN=C1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300000086102	1	47	0.0	-60.87	363.56	9.48	-51.39
CCC(NN=C1CC[N@H+](C)C(C2=CC=C(Br)C=C2)C1)C(=O)[O-]	REAL300000086129	1	44	0.0	-71.82	350.93	9.39	-62.43
CCC(NN=C1CC[N@@H+](C)C(C2=CC=C(Br)C=C2)C1)C(=O)[O-]	REAL300000086129	1	44	0.0	-72.18	350.76	9.38	-62.80
CCC(NN=CC1(C(C)(C)C)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300000086132	0	56	0.0	-59.51	413.87	11.13	-48.38
CCC(NN=CC1(C(C)(C)C)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300000086132	1	56	0.0	-54.58	414.57	11.03	-43.55
CCC(NN=C1CC[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]12)C(=O)[O-]	REAL300000086230	0	48	0.0	-72.55	371.26	10.21	-62.34
CCC(NN=C1CC[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]12)C(=O)[O-]	REAL300000086230	1	48	0.0	-69.65	368.14	10.12	-59.53
CCC(NN=C1CC2CC(C1)[N@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300000086239	0	48	0.0	-62.24	351.83	9.62	-52.62
CCC(NN=C1CC2CC(C1)[N@@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300000086239	1	48	0.0	-64.18	352.84	9.66	-54.52
CCC(NN=C1CCC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300000086343	1	47	0.0	-65.23	359.99	9.75	-55.48
CCC(NN=C1CCC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300000086343	1	47	0.0	-64.11	359.47	9.77	-54.34
CCC(NN=C1CCC2(CC1)C[N@H+](CC1=CC=CC=C1)CCO2)C(=O)[O-]	REAL300000086461	0	55	0.0	-72.04	408.37	10.23	-61.81
CCC(NN=C1CCC2(CC1)C[N@@H+](CC1=CC=CC=C1)CCO2)C(=O)[O-]	REAL300000086461	1	55	0.0	-80.00	408.63	10.23	-69.77
CCC(NN=C1CCC2CCC(C1)[N@@H+]2CC1=CC=CC=C1)C(=O)[O-]	REAL300000086474	0	51	0.0	-67.09	376.55	10.58	-56.51
CCC(NN=C1CCC2CCC(C1)[N@H+]2CC1=CC=CC=C1)C(=O)[O-]	REAL300000086474	1	51	0.0	-64.47	363.07	9.66	-54.81
CC[NH+](CC)CC1=CC(C(C)=NNC2=CC=C(C(=O)[O-])N=C2)=CC=C1O	REAL300000086786	0	50	0.0	-75.12	390.84	7.47	-67.65
CC(=NNC1=CC=C(C(=O)[O-])N=C1)C1=CC=C(O)C(C[NH+]2CCCCC2)=C1	REAL300000086788	0	51	0.0	-73.05	402.36	8.20	-64.85
COC1=CC=C(C(C)=NNC2=CC=C(C(=O)[O-])N=C2)C=C1C[NH+]1CCCCC1	REAL300000086972	0	54	0.0	-70.72	415.74	10.41	-60.31
COC1=CC=C(C(C)=NNC2=CC=C(C(=O)[O-])N=C2)C=C1C[NH+]1CCCC1	REAL300000086973	0	51	0.0	-70.60	405.25	9.50	-61.10
CC[NH+]1CCN(C2=CC=C(C(C)=NNC3=CC=C(C(=O)[O-])N=C3)C=C2F)CC1	REAL300000087056	1	52	0.0	-80.45	411.99	9.14	-71.31
COC1=[NH+]C(N)=NC(N2CCCC2)=C1C=NNC1=CC=C(C(=O)[O-])N=C1	REAL300000087092	1	45	0.0	-72.05	373.51	5.54	-66.51
CC[NH+](CC)CCN1C(=O)C(=NNC2=CC=C(C(=O)[O-])N=C2)C2=CC=CC=C21	REAL300000087101	0	51	0.0	-82.53	411.17	9.90	-72.63
O=C([O-])C1=CC=C(N=NC2CC[N@H+](CC3=CC=CC=C3)C2)C=N1	REAL300000087205	0	41	0.0	-74.80	338.80	7.64	-67.16
O=C([O-])C1=CC=C(N=NC2CC[N@@H+](CC3=CC=CC=C3)C2)C=N1	REAL300000087205	1	41	0.0	-75.14	340.39	7.72	-67.42
O=C([O-])C1=CC=C(NN=CC2=CC=C(OCC[NH+]3CCCC3)C=C2)C=N1	REAL300000087258	0	48	0.0	-81.48	390.11	9.50	-71.98
CC[N@@H+]1CCCC1CN1C(C)=CC(C=NNC2=CC=C(C(=O)[O-])N=C2)=C1C	REAL300000087262	0	54	0.0	-80.50	411.09	10.54	-69.96
CC[N@H+]1CCCC1CN1C(C)=CC(C=NNC2=CC=C(C(=O)[O-])N=C2)=C1C	REAL300000087262	1	54	0.0	-72.13	418.50	9.90	-62.23
CC[N@@H+]1CCCC1CN1C(C)=CC(CN=NC2=CC=C(C(=O)[O-])N=C2)=C1C	REAL300000087262	1	54	0.0	-75.03	417.62	9.28	-65.75
CC[N@H+]1CCCC1CN1C(C)=CC(CN=NC2=CC=C(C(=O)[O-])N=C2)=C1C	REAL300000087262	1	54	0.0	-75.03	417.62	9.28	-65.75
O=C([O-])C1=CC=C(N=NC2CC[NH+](CCC3=CC=CC=C3)CC2)C=N1	REAL300000087293	0	47	0.0	-79.55	379.24	9.22	-70.33
CC1=CC(CN=NC2=CC=C(C(=O)[O-])N=C2)=C(C)N1CCN1CCOCC1	REAL300000087296	1	52	0.0	-85.86	412.47	8.87	-76.99
CC1=CC(C=NNC2=CC=C(C(=O)[O-])N=C2)=C(C)N1CC[NH+]1CCOCC1	REAL300000087296	1	52	0.0	-81.76	418.07	7.57	-74.19
CC1=CC(CN=NC2=CC=C(C(=O)[O-])N=C2)=C(C)N1CC[NH+]1CCOCC1	REAL300000087296	1	52	0.0	-81.76	418.07	7.57	-74.19
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CN(C1=CC=CC=C1C=NNC1=CC=C(C(=O)[O-])N=C1)C1CC[NH+](C)CC1	REAL300000087338	0	52	0.0	-63.07	403.06	10.16	-52.91
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CN1CCN(C2=CC=C(C=NNC3=CC=C(C(=O)[O-])N=C3)C=C2F)CC1	REAL300000087370	0	46	0.0	-90.25	380.44	7.92	-82.33
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CC(=NNC1=CC=C(C(=O)[O-])N=C1)C1=CC=CC(OCC[NH+](C)C)=C1	REAL300000087426	0	47	0.0	-77.36	380.42	8.75	-68.61
CC(=NNC1=CC=C(C(=O)[O-])N=C1)C1=CC=C(O)C(CN2CCOCC2)=C1	REAL300000087428	0	49	0.0	-78.37	392.69	5.89	-72.48
CC(=NNC1=CC=C(C(=O)[O-])N=C1)C1=CC=C(O)C(C[NH+]2CCOCC2)=C1	REAL300000087428	1	49	0.0	-78.37	392.69	5.89	-72.48
CC(=NNC1=CC=C(C(=O)[O-])N=C1)C1=CC=C(OCC[NH+](C)C)C=C1	REAL300000087463	0	47	0.0	-85.28	380.37	8.76	-76.52
COC(=O)CCC[NH+]1CCC(N=NC2=CC=C(C(=O)[O-])N=C2)CC1	REAL300000087519	0	46	0.0	-83.61	374.79	7.00	-76.61
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CC1CC(N=NC2=CC=C(C(=O)[O-])N=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300000087630	0	47	0.0	-75.86	367.08	8.55	-67.31
CC1CC(N=NC2=CC=C(C(=O)[O-])N=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300000087630	1	47	0.0	-75.86	367.08	8.55	-67.31
CC1CCCCC1[NH+]1CCC(N=NC2=CC=C(C(=O)[O-])N=C2)CC1	REAL300000087646	0	50	0.0	-73.49	367.01	8.31	-65.18
CC1CCCC([NH+]2CCC(N=NC3=CC=C(C(=O)[O-])N=C3)CC2)C1	REAL300000087660	0	50	0.0	-74.23	370.38	8.23	-66.00
CC1C[N@H+](CC2=CC=CC=N2)CCC1N=NC1=CC=C(C(=O)[O-])N=C1	REAL300000087676	0	46	0.0	-76.57	365.55	7.67	-68.90
CCOCCC[N@@H+]1CCC(N=NC2=CC=C(C(=O)[O-])N=C2)C(C)C1	REAL300000087688	0	50	0.0	-73.47	392.59	7.18	-66.29
CCOCCC[N@H+]1CCC(N=NC2=CC=C(C(=O)[O-])N=C2)C(C)C1	REAL300000087688	1	50	0.0	-73.47	392.59	7.18	-66.29
CC(N=NC1=CC=C(C(=O)[O-])N=C1)C1CN(CC2=CC=CC=C2)CCO1	REAL300000087704	0	48	0.0	-73.30	377.77	7.26	-66.04
CC(N=NC1=CC=C(C(=O)[O-])N=C1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300000087704	1	48	0.0	-72.43	388.13	7.78	-64.65
CC(N=NC1=CC=C(C(=O)[O-])N=C1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300000087704	1	48	0.0	-72.43	388.13	7.78	-64.65
C[N@H+](CC1=CC=CC=C1)CC(C)(C)CN=NC1=CC=C(C(=O)[O-])N=C1	REAL300000087754	0	49	0.0	-78.64	382.99	9.36	-69.28
C[N@@H+](CC1=CC=CC=C1)CC(C)(C)CN=NC1=CC=C(C(=O)[O-])N=C1	REAL300000087754	1	49	0.0	-78.64	382.99	9.36	-69.28
O=C([O-])C1=CC=C(N=NC2CCCCC2[NH+]2CCCCCC2)C=N1	REAL300000087762	0	50	0.0	-64.83	358.24	7.71	-57.12
CC1CC(C)C[NH+](C2CCCCC2N=NC2=CC=C(C(=O)[O-])N=C2)C1	REAL300000087766	0	53	0.0	-65.26	386.73	8.94	-56.32
CC1C[N@H+](CC2=CC=CC=C2)CC1N=NC1=CC=C(C(=O)[O-])N=C1	REAL300000087789	0	44	0.0	-74.51	362.41	8.36	-66.15
CC1C[N@@H+](CC2=CC=CC=C2)CC1N=NC1=CC=C(C(=O)[O-])N=C1	REAL300000087789	1	44	0.0	-74.51	362.41	8.36	-66.15
O=C([O-])C1=CC=C(N=NC2CCCCC2[NH+]2CCCCC2)C=N1	REAL300000087805	0	47	0.0	-68.43	352.88	8.22	-60.21
CN1CCN(C2=NC=C(C=NNC3=CC=C(C(=O)[O-])N=C3)C=N2)CC1	REAL300000087814	0	44	0.0	-84.81	364.69	7.19	-77.62
C[NH+]1CCN(C2=NC=C(C=NNC3=CC=C(C(=O)[O-])N=C3)C=N2)CC1	REAL300000087814	1	44	0.0	-84.81	364.69	7.19	-77.62
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1N=NC1=CC=C(C(=O)[O-])N=C1	REAL300000087857	0	50	0.0	-78.99	385.31	9.81	-69.18
CC1CC(N=NC2=CC=C(C(=O)[O-])N=C2)C[N@@H+]1CC1=CC=CC=C1	REAL300000087891	0	44	0.0	-74.21	359.22	8.27	-65.94
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C[NH+]1CCN(C2=CC=C(C=NNC3=CC=C(C(=O)[O-])N=C3)C=C2)CC1	REAL300000088039	0	46	0.0	-84.63	370.38	7.61	-77.02
CC1CC[N@H+](CC2=CC=CC=C2)CC1N=NC1=CC=C(C(=O)[O-])N=C1	REAL300000088049	0	47	0.0	-73.77	374.39	9.41	-64.36
CC1CC[N@@H+](CC2=CC=CC=C2)CC1N=NC1=CC=C(C(=O)[O-])N=C1	REAL300000088049	1	47	0.0	-73.78	374.34	9.41	-64.37
C[NH+]1CCC2(CC1)CC(=NNC1=CC=C(C(=O)[O-])N=C1)C1=CC=CC=C1O2	REAL300000088110	0	49	0.0	-85.68	384.22	9.26	-76.42
CC1CC(N=NC2=CC=C(C(=O)[O-])N=C2)C[N@H+](CC2=CC=CC=C2)C1	REAL300000088149	0	47	0.0	-74.45	375.60	9.28	-65.17
CC1CC(N=NC2=CC=C(C(=O)[O-])N=C2)C[N@@H+](CC2=CC=CC=C2)C1	REAL300000088149	1	47	0.0	-76.85	377.96	8.96	-67.89
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CC(N=NC1=CC=C(C(=O)[O-])N=C1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300000088177	0	47	0.0	-70.01	376.38	9.24	-60.77
CC(N=NC1=CC=C(C(=O)[O-])N=C1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300000088177	1	47	0.0	-69.96	378.30	9.23	-60.73
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C[N@H+](CC1=CC=CC=C1)C1CCC(N=NC2=CC=C(C(=O)[O-])N=C2)CC1	REAL300000088304	0	50	0.0	-72.42	389.11	9.81	-62.61
C[N@@H+](CC1=CC=CC=C1)C1CCC(N=NC2=CC=C(C(=O)[O-])N=C2)CC1	REAL300000088304	1	50	0.0	-72.34	389.12	9.82	-62.52
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CC1C(N=NC2=CC=C(C(=O)[O-])N=C2)CCC[N@@H+]1CC1=CC=CC=C1	REAL300000088555	0	47	0.0	-72.01	370.33	9.26	-62.75
CC1C(N=NC2=CC=C(C(=O)[O-])N=C2)CCC[N@H+]1CC1=CC=CC=C1	REAL300000088555	1	47	0.0	-72.09	372.61	8.96	-63.13
CC(=NNC1=CC=C(C(=O)[O-])N=C1)C1=CC=C(C[NH+](C)C)C=C1	REAL300000088636	0	43	0.0	-84.82	350.53	8.99	-75.83
CC(=NNC1=CC=C(C(=O)[O-])N=C1)C1=CC=CC(C[NH+](C)C)=C1	REAL300000088637	0	43	0.0	-75.51	350.60	8.99	-66.52
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CC1C(N=NC2=CC=C(C(=O)[O-])N=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300000088681	0	44	0.0	-71.14	361.59	8.40	-62.74
CC1C(N=NC2=CC=C(C(=O)[O-])N=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300000088681	1	44	0.0	-72.88	356.32	8.07	-64.81
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CC(C)(C)C1(C=NNCC(=O)[O-])CC[N@H+](CC2=CC=CC=C2)C1	REAL300000095480	0	50	0.0	-57.58	371.19	9.46	-48.12
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CC1=C(C(=O)[O-])OC(COC2=CC=C(C=NNC3=[NH+]CCN3)C=C2)=C1	REAL300000098420	0	43	0.0	-70.94	366.81	8.49	-62.45
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CN1C(C(=O)[O-])=CC(Br)=C1C=NNC1=[NH+]CCN1	REAL300000098422	1	30	0.0	-59.76	275.10	6.05	-53.71
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CN(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1C=NNC1=[NH+]CCN1	REAL300000098427	1	40	0.0	-47.30	346.12	7.41	-39.89
COC1=CC(C=NNC2=[NH+]CCN2)=CC=C1OCCC(=O)[O-]	REAL300000098428	1	40	0.0	-63.48	335.97	6.47	-57.01
CC(=NNC1=[NH+]CCN1)C1=CC=CC(OCCCC(=O)[O-])=C1	REAL300000098429	0	42	0.0	-60.52	342.12	7.87	-52.65
CC(CCC1=CC=C(OC(C)C(=O)[O-])C=C1)N=NC1=[NH+]CCN1	REAL300000098430	1	45	0.0	-66.84	367.48	8.10	-58.74
CC(CCC1=CC=C(OCC(=O)[O-])C=C1)N=NC1=[NH+]CCN1	REAL300000098431	1	42	0.0	-66.11	349.60	7.50	-58.61
CC(CCC1=CC=C(OCCC(=O)[O-])C=C1)N=NC1=[NH+]CCN1	REAL300000098432	1	45	0.0	-63.09	370.55	7.63	-55.46
CC(CCC1=CC=C(OCC2=CC=CC(C(=O)[O-])=C2)C=C1)N=NC1=[NH+]CCN1	REAL300000098433	1	52	0.0	-71.99	429.82	10.50	-61.49
CCC(=NNC1=[NH+]CCN1)C1=CC=C(OCCCCC(=O)[O-])C=C1	REAL300000098434	0	48	0.0	-61.16	384.90	9.38	-51.78
COC1=CC(C(C)=NNC2=[NH+]CCN2)=CC=C1OCCCC(=O)[O-]	REAL300000098435	0	46	0.0	-68.45	371.29	7.77	-60.68
CC(=NNC1=[NH+]CCN1)C1=CC(Br)=CC=C1OCC(=O)[O-]	REAL300000098436	1	36	0.0	-47.96	324.96	7.63	-40.33
CC(=NNC1=[NH+]CCN1)C1=C(CC(=O)[O-])C2=CC=C(C)C=C2O1	REAL300000098437	1	41	0.0	-47.64	338.98	8.89	-38.75
O=C([O-])C(OC1=CC=CC(C=NNC2=[NH+]CCN2)=C1)C1=CC=CC=C1	REAL300000098438	0	43	0.0	-65.24	363.80	10.12	-55.12
COC1=CC(C=NNC2=[NH+]CCN2)=CC(Cl)=C1OC(C)C(=O)[O-]	REAL300000098439	1	40	0.0	-72.91	351.38	7.63	-65.28
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COC1=CC(Br)=CC(C=NNC2=[NH+]CCN2)=C1OCC(=O)[O-]	REAL300000098444	1	37	0.0	-42.21	330.83	7.33	-34.88
O=C([O-])C1=CC=C(COC2=CC=C(C=NNC3=[NH+]CCN3)C=C2)O1	REAL300000098445	0	40	0.0	-70.12	348.84	7.90	-62.22
O=C([O-])C1=CC(I)=CC(C=NNC2=[NH+]CCN2)=C1	REAL300000098446	1	29	0.0	-58.00	282.55	7.23	-50.77
O=C([O-])CC1=CC=CC(C2=CC=C(C=NNC3=[NH+]CCN3)C=C2)=C1	REAL300000098447	1	42	0.0	-65.80	351.07	10.34	-55.46
CCOC1=CC(C=NNC2=[NH+]CCN2)=CC=C1OCC(=O)[O-]	REAL300000098448	1	40	0.0	-70.33	336.88	7.11	-63.22
O=C([O-])C1=NN(C2CCOCC2)C=C1C=NNC1=[NH+]CCN1	REAL300000098449	1	40	0.0	-48.70	321.07	5.27	-43.43
O=C([O-])C1=C(C=NNC2=[NH+]CCN2)SC(Br)=C1	REAL300000098451	1	26	0.0	-45.74	263.71	5.75	-39.99
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O=C([O-])COC1=CC=C(C=NNCC[NH+]2CCCCC2)C=C1	REAL300000099006	0	45	0.0	-72.58	356.78	8.77	-63.81
CC1=C(C(=O)[O-])OC2=C1C(=NNCC[NH+]1CCCCC1)CCC2	REAL300000099007	0	48	0.0	-77.54	361.96	9.31	-68.23
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CC(OC1=CC=CC(C=NNCC[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300000099009	0	48	0.0	-71.77	374.04	9.31	-62.46
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CC1=C(C(=O)[O-])OC(COC2=CC=C(C=NNCC[NH+]3CCCCC3)C=C2)=C1	REAL300000099013	0	55	0.0	-78.84	437.32	10.79	-68.05
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COC1=CC=C(C=NNCC[NH+]2CCCCC2)C(OCC(=O)[O-])=C1	REAL300000099016	0	49	0.0	-59.74	383.49	8.29	-51.45
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CC[N@@H+]1CCCC1CN1C(C)=CC(C=NNC2=CC=CC(C(=O)[O-])=C2C)=C1C	REAL300000103499	0	58	0.0	-80.81	427.64	12.93	-67.88
CC[N@H+]1CCCC1CN1C(C)=CC(C=NNC2=CC=CC(C(=O)[O-])=C2C)=C1C	REAL300000103499	1	58	0.0	-80.81	427.64	12.93	-67.88
CC1=C(NN=CC2=CC=C(N3CCCC3)C=C2)C=CC=C1C(=O)[O-]	REAL300000103523	0	45	0.0	-67.12	351.38	9.47	-57.65
CC1=C(N[NH+]=CC2=CC=C(N3CCCC3)C=C2)C=CC=C1C(=O)[O-]	REAL300000103523	1	45	0.0	-67.12	351.38	9.47	-57.65
CC1=C(N=NC2CC[NH+](CCC3=CC=CC=C3)CC2)C=CC=C1C(=O)[O-]	REAL300000103529	0	51	0.0	-75.62	398.42	11.68	-63.94
CC1=CC(C=NNC2=C(C)C(C(=O)[O-])=CC=C2)=C(C)N1CCN1CCOCC1	REAL300000103532	0	56	0.0	-85.87	429.06	11.26	-74.61
CC1=CC(C=NNC2=C(C)C(C(=O)[O-])=CC=C2)=C(C)N1CC[NH+]1CCOCC1	REAL300000103532	1	56	0.0	-85.87	429.06	11.26	-74.61
CC1=C(N=NC2CC[NH+](CCC3=CC=C(F)C=C3)CC2)C=CC=C1C(=O)[O-]	REAL300000103535	0	51	0.0	-80.83	404.38	11.72	-69.11
CC1=C(NN=CC2=CC=C(OCC[NH+](C)C)C=C2)C=CC=C1C(=O)[O-]	REAL300000103561	0	48	0.0	-77.82	383.20	10.60	-67.22
CC1=C(NN=CC2=CC=CC=C2N(C)C2CC[NH+](C)CC2)C=CC=C1C(=O)[O-]	REAL300000103579	0	56	0.0	-70.23	418.16	12.58	-57.65
CC1=C(N=NC2CC[NH+](C3CCCC3)CC2)C=CC=C1C(=O)[O-]	REAL300000103612	0	48	0.0	-70.12	354.82	9.51	-60.61
CC1=C(NN=CC2=CC=C(N3CCN(C)CC3)C(F)=C2)C=CC=C1C(=O)[O-]	REAL300000103614	0	50	0.0	-84.25	401.08	10.38	-73.87
CC1=C(NN=CC2=CC=C(N3CC[NH+](C)CC3)C(F)=C2)C=CC=C1C(=O)[O-]	REAL300000103614	1	50	0.0	-84.25	401.08	10.38	-73.87
CC1=NN2C(=NC3=CC=CC=C3C2=O)C1=CNNC1=CC=CC(C(=O)[O-])=C1C	REAL300000103623	0	45	0.0	-94.19	373.71	9.58	-84.61
CC1=NN2C(=NC3=CC=CC=C3C2=O)C1=C[NH2+]NC1=CC=CC(C(=O)[O-])=C1C	REAL300000103623	1	45	0.0	-94.19	373.71	9.58	-84.61
CC1=C(N=NC2CC[NH+](C3CCCCC3)CC2)C=CC=C1C(=O)[O-]	REAL300000103667	0	51	0.0	-70.55	371.67	10.03	-60.52
CC(=NNC1=CC=CC(C(=O)[O-])=C1C)C1=CC=CC(OCC[NH+](C)C)=C1	REAL300000103673	0	51	0.0	-77.80	401.10	11.25	-66.55
CC(=NNC1=CC=CC(C(=O)[O-])=C1C)C1=CC=C(O)C(CN2CCOCC2)=C1	REAL300000103675	0	53	0.0	-77.73	414.34	8.26	-69.47
CC(=NNC1=CC=CC(C(=O)[O-])=C1C)C1=CC=C(O)C(C[NH+]2CCOCC2)=C1	REAL300000103675	1	53	0.0	-77.73	414.34	8.26	-69.47
CC(=NNC1=CC=CC(C(=O)[O-])=C1C)C1=CC=C(OCC[NH+](C)C)C=C1	REAL300000103709	0	51	0.0	-79.75	396.96	11.16	-68.59
CC1=C(NN=CC2=CC=C3C(=C2)CCCN3C)C=CC=C1C(=O)[O-]	REAL300000103724	0	45	0.0	-67.87	351.74	9.58	-58.29
CC1=C(N[NH+]=CC2=CC=C3C(=C2)CCCN3C)C=CC=C1C(=O)[O-]	REAL300000103724	1	45	0.0	-67.87	351.74	9.58	-58.29
CC1=C(N=NC2CC[NH+](C(C)(C)C)CC2)C=CC=C1C(=O)[O-]	REAL300000103727	0	47	0.0	-68.77	349.95	8.74	-60.03
COC(=O)CCC[NH+]1CCC(N=NC2=CC=CC(C(=O)[O-])=C2C)CC1	REAL300000103769	0	50	0.0	-81.99	397.28	9.52	-72.47
CC1=C(N=NC2CC[NH+](CCN3CCOCC3)CC2)C=CC=C1C(=O)[O-]	REAL300000103860	0	54	0.0	-75.64	405.37	6.35	-69.29
CC1=C(N=NC2CC[N@H+](CC3=CC=CC=C3)C(C)C2)C=CC=C1C(=O)[O-]	REAL300000103891	0	51	0.0	-70.19	394.43	11.62	-58.57
CC1=C(N=NC2CC[N@@H+](CC3=CC=CC=C3)C(C)C2)C=CC=C1C(=O)[O-]	REAL300000103891	1	51	0.0	-70.19	394.43	11.62	-58.57
CC1=C(N=NC2CC[NH+](C3CCCCC3C)CC2)C=CC=C1C(=O)[O-]	REAL300000103906	0	54	0.0	-69.25	385.73	10.74	-58.51
CC1=C(N=NC2CC[NH+](C3CCCC(C)C3)CC2)C=CC=C1C(=O)[O-]	REAL300000103919	0	54	0.0	-70.76	385.47	10.41	-60.35
CC1=C(N=NC2CC[N@@H+](CC3=CC=CC=N3)CC2C)C=CC=C1C(=O)[O-]	REAL300000103938	0	50	0.0	-72.97	387.17	10.26	-62.71
CCOCCC[N@@H+]1CCC(N=NC2=CC=CC(C(=O)[O-])=C2C)C(C)C1	REAL300000103955	0	54	0.0	-72.48	410.05	9.57	-62.91
CCOCCC[N@H+]1CCC(N=NC2=CC=CC(C(=O)[O-])=C2C)C(C)C1	REAL300000103955	1	54	0.0	-72.48	410.05	9.57	-62.91
CC1=C(C(=O)[O-])C=CC=C1N=NC(C)C1CN(CC2=CC=CC=C2)CCO1	REAL300000103974	0	52	0.0	-75.64	400.27	9.77	-65.87
CC1=C(C(=O)[O-])C=CC=C1N=NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300000103974	1	52	0.0	-75.79	401.11	9.74	-66.05
CC1=C(C(=O)[O-])C=CC=C1N=NC(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300000103974	1	52	0.0	-75.79	401.11	9.74	-66.05
CC1=C(N=NCC(C)(C)C[N@H+](C)CC2=CC=CC=C2)C=CC=C1C(=O)[O-]	REAL300000104027	0	53	0.0	-74.84	397.73	11.64	-63.20
CC1=C(N=NCC(C)(C)C[N@@H+](C)CC2=CC=CC=C2)C=CC=C1C(=O)[O-]	REAL300000104027	1	53	0.0	-74.93	401.83	11.78	-63.15
CC1=C(N=NC2CCCCC2[NH+]2CCCCCC2)C=CC=C1C(=O)[O-]	REAL300000104039	0	54	0.0	-69.27	384.77	10.89	-58.38
CC1=C(N=NC2CCCCC2[NH+]2CC(C)CC(C)C2)C=CC=C1C(=O)[O-]	REAL300000104043	0	57	0.0	-69.94	410.66	11.95	-57.99
CC1=C(N=NCC2(C[NH+]3CCOCC3)CCCCC2)C=CC=C1C(=O)[O-]	REAL300000104053	0	55	0.0	-65.94	391.00	8.93	-57.01
CC1=C(N=NC2C[N@@H+](CC3=CC=CC=C3)CC2C)C=CC=C1C(=O)[O-]	REAL300000104071	0	48	0.0	-74.58	383.91	10.85	-63.73
CC1=C(N=NC2C[N@H+](CC3=CC=CC=C3)CC2C)C=CC=C1C(=O)[O-]	REAL300000104071	1	48	0.0	-73.33	382.80	11.22	-62.11
CCN(C)C1=CC=C(C(C)=[NH+]NC2=CC=CC(C(=O)[O-])=C2C)C=C1	REAL300000104077	1	47	0.0	-59.82	360.66	10.84	-48.98
CC1=C(N=NC2CCCCC2[NH+]2CCCCC2)C=CC=C1C(=O)[O-]	REAL300000104089	0	51	0.0	-67.39	374.49	10.24	-57.15
CC1=C(NN=CC2=CN=C(N3CC[NH+](C)CC3)N=C2)C=CC=C1C(=O)[O-]	REAL300000104098	1	48	0.0	-79.42	381.33	9.59	-69.83
CC1=C(N=NC2C(C)C[NH+](CC3=CC=CC=C3)CC2C)C=CC=C1C(=O)[O-]	REAL300000104145	0	54	0.0	-77.34	412.26	12.25	-65.09
CC1=C(N=NC2CC(C)[N@@H+](CC3=CC=CC=C3)C2)C=CC=C1C(=O)[O-]	REAL300000104187	0	48	0.0	-72.06	382.01	10.79	-61.27
CC1=C(N=NC2CC(C)[N@H+](CC3=CC=CC=C3)C2)C=CC=C1C(=O)[O-]	REAL300000104187	1	48	0.0	-69.78	372.19	10.37	-59.41
CC1=C(N[NH2+]C2=CC(=O)N(CC3=CC=CC=C3)C2C)C=CC=C1C(=O)[O-]	REAL300000104198	1	47	0.0	-81.08	380.15	10.26	-70.82
CC1=C(N=NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2=CC=CC=C2)C=CC=C1C(=O)[O-]	REAL300000104240	0	52	0.0	-68.46	383.33	10.96	-57.50
CC1=C(N=NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2=CC=CC=C2)C=CC=C1C(=O)[O-]	REAL300000104240	1	52	0.0	-69.52	391.64	11.41	-58.11
CC1=C(N[NH+]=CC2=CC=C3C(=C2)CCN3C)C=CC=C1C(=O)[O-]	REAL300000104289	1	42	0.0	-69.28	338.42	8.87	-60.41
CC1=C(N=NC2CCCC3C[N@H+](CC4=CC=CC=C4)CC32)C=CC=C1C(=O)[O-]	REAL300000104322	0	55	0.0	-75.97	416.99	12.67	-63.30
CC1=C(N=NC2CCCC3C[N@@H+](CC4=CC=CC=C4)CC32)C=CC=C1C(=O)[O-]	REAL300000104322	1	55	0.0	-77.48	420.81	12.75	-64.73
CC1=C(NN=CC2=CC=C(N3CC[NH+](C)CC3)C=C2)C=CC=C1C(=O)[O-]	REAL300000104353	0	50	0.0	-80.28	386.98	10.00	-70.28
CC1=C(N=NC2C[N@@H+](CC3=CC=CC=C3)CCC2C)C=CC=C1C(=O)[O-]	REAL300000104366	0	51	0.0	-68.62	399.74	11.57	-57.05
CC1=C(N=NC2C[N@H+](CC3=CC=CC=C3)CCC2C)C=CC=C1C(=O)[O-]	REAL300000104366	1	51	0.0	-68.88	396.84	11.93	-56.95
CC1=C(NN=C2CC3(CC[NH+](C)CC3)OC3=CC=CC=C32)C=CC=C1C(=O)[O-]	REAL300000104430	0	53	0.0	-74.75	400.93	11.66	-63.09
CC1=C(N=NC2CC(C)C[N@@H+](CC3=CC=CC=C3)C2)C=CC=C1C(=O)[O-]	REAL300000104478	0	51	0.0	-76.34	400.78	11.48	-64.86
CC1=C(N=NC2CC(C)C[N@H+](CC3=CC=CC=C3)C2)C=CC=C1C(=O)[O-]	REAL300000104478	1	51	0.0	-74.07	394.31	11.72	-62.35
CC1=C(N=NC2CC[NH+](CCC(F)(F)F)CC2)C=CC=C1C(=O)[O-]	REAL300000104506	0	44	0.0	-78.79	356.19	9.01	-69.78
CC1=C(C(=O)[O-])C=CC=C1N=NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300000104507	0	51	0.0	-73.26	398.25	11.69	-61.57
CC1=C(C(=O)[O-])C=CC=C1N=NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300000104507	1	51	0.0	-74.75	401.29	11.76	-62.99
CC1=C(C(=O)[O-])C=CC=C1N=NC(C)C[NH+]1CC2=CC=CC=C2C1	REAL300000104527	1	45	0.0	-74.18	364.20	10.44	-63.74
CC1=C(N=NC2CCOCC2C[NH+]2CCCCC2)C=CC=C1C(=O)[O-]	REAL300000104591	0	52	0.0	-72.09	391.53	9.01	-63.08
CC1=C(C(=O)[O-])C=CC=C1N=NC(C)C[NH+]1CCCCCC1	REAL300000104608	0	47	0.0	-69.83	351.18	9.22	-60.61
CC1=C(N=NC2CCC([N@H+](C)CC3=CC=CC=C3)CC2)C=CC=C1C(=O)[O-]	REAL300000104657	0	54	0.0	-72.62	407.84	12.25	-60.37
CC1=C(N=NC2CCC([N@@H+](C)CC3=CC=CC=C3)CC2)C=CC=C1C(=O)[O-]	REAL300000104657	1	54	0.0	-72.21	407.86	12.25	-59.96
CC1=C(N[NH+]=CC2=CC=C3C(=C2)CCN3CC2=CC=CC=C2)C=CC=C1C(=O)[O-]	REAL300000104798	1	52	0.0	-69.89	412.12	12.39	-57.50
CC1=C(N[NH2+]C2=CC(=O)N3CCCCC23)C=CC=C1C(=O)[O-]	REAL300000104807	1	41	0.0	-81.11	320.32	7.44	-73.67
CC1=C(NN=C2CCCC3=[NH+]C(N)=CC=C23)C=CC=C1C(=O)[O-]	REAL300000104853	0	41	0.0	-73.04	325.62	7.98	-65.06
CC1=C(N=NC2CC[N@H+](CC3=CC=CC=C3)C3CCCC32)C=CC=C1C(=O)[O-]	REAL300000104885	0	55	0.0	-72.01	418.39	12.35	-59.66
CC1=C(N=NC2CC[N@@H+](CC3=CC=CC=C3)C3CCCC32)C=CC=C1C(=O)[O-]	REAL300000104885	1	55	0.0	-68.15	414.72	12.73	-55.42
CC1=C(N=NCC(C)(C[NH+](C)C)C2=CC=CC=C2)C=CC=C1C(=O)[O-]	REAL300000104928	0	50	0.0	-68.26	371.79	11.49	-56.77
CC1=C(N=NC2CCC[N@H+](CC3=CC=CC=C3)C2C)C=CC=C1C(=O)[O-]	REAL300000104954	0	51	0.0	-70.57	391.39	11.36	-59.21
CC1=C(N=NC2CCC[N@@H+](CC3=CC=CC=C3)C2C)C=CC=C1C(=O)[O-]	REAL300000104954	1	51	0.0	-72.24	395.45	11.45	-60.79
CC(=NNC1=CC=CC(C(=O)[O-])=C1C)C1=CC=C(C[NH+](C)C)C=C1	REAL300000105047	0	47	0.0	-80.64	367.12	11.39	-69.25
CC(=NNC1=CC=CC(C(=O)[O-])=C1C)C1=CC=CC(C[NH+](C)C)=C1	REAL300000105048	0	47	0.0	-77.95	371.21	11.45	-66.50
COCC[NH+]1C2CCC1CC(N=NC1=CC=CC(C(=O)[O-])=C1C)C2	REAL300000105050	0	49	0.0	-69.43	358.78	8.65	-60.78
CC1=C(N=NC2CC[NH+](CC(C)(C)O)CC2)C=CC=C1C(=O)[O-]	REAL300000105091	0	48	0.0	-73.04	362.04	6.50	-66.54
CC1=C(N=NC2CC[N@H+](CC3=CC=CC=C3)C2C)C=CC=C1C(=O)[O-]	REAL300000105100	0	48	0.0	-71.42	370.00	10.70	-60.72
CC1=C(N=NC2CC[N@@H+](CC3=CC=CC=C3)C2C)C=CC=C1C(=O)[O-]	REAL300000105100	1	48	0.0	-71.63	383.98	10.90	-60.73
CC1=C(NN=C2C(=O)N(CC[NH+](C)C)C3=CC=CC=C32)C=CC=C1C(=O)[O-]	REAL300000105106	0	49	0.0	-79.87	396.07	11.01	-68.86
CC1=C(NN=CC2=NOC(C[NH+](C)C)=C2)C=CC=C1C(=O)[O-]	REAL300000105132	1	40	0.0	-85.21	330.58	8.29	-76.92
CC1=C(N=NC2CC[N@H+](C3CC3)C(C3=CC=CC=C3)C2)C=CC=C1C(=O)[O-]	REAL300000105149	0	52	0.0	-68.86	403.82	12.10	-56.76
CC1=C(N=NC2CC[N@@H+](C3CC3)C(C3=CC=CC=C3)C2)C=CC=C1C(=O)[O-]	REAL300000105149	1	52	0.0	-64.54	386.28	11.47	-53.07
CC1=CC(N(C)C)=CC=C1C=[NH+]NC1=CC=CC(C(=O)[O-])=C1C	REAL300000105176	1	44	0.0	-62.53	343.77	9.89	-52.64
CC1=C(N=NC2CC3(CC[NH+](C)CC3)OC2C)C=CC=C1C(=O)[O-]	REAL300000105228	0	49	0.0	-74.18	373.00	8.63	-65.55
CC1=C(N=NC2CC[N@H+](CC3=CC=CC=C3)C3(CC3)C2)C=CC=C1C(=O)[O-]	REAL300000105232	0	52	0.0	-70.64	403.65	11.80	-58.84
CC1=C(N=NC2CC[N@@H+](CC3=CC=CC=C3)C3(CC3)C2)C=CC=C1C(=O)[O-]	REAL300000105232	1	52	0.0	-69.01	401.51	12.00	-57.01
CC1=C(N=NC2CCC[N@@H+]3CCCCC23)C=CC=C1C(=O)[O-]	REAL300000105248	0	45	0.0	-69.60	339.32	9.05	-60.55
CC1=C(N=NC2CCC[N@H+]3CCCCC23)C=CC=C1C(=O)[O-]	REAL300000105248	1	45	0.0	-71.24	343.13	9.14	-62.10
CC1=C(N=NC2C[N@H+](CC3=CC=CC=C3)C(C)(C)C2)C=CC=C1C(=O)[O-]	REAL300000105267	0	51	0.0	-66.64	392.09	10.90	-55.74
CC1=C(N=NC2C[N@@H+](CC3=CC=CC=C3)C(C)(C)C2)C=CC=C1C(=O)[O-]	REAL300000105267	1	51	0.0	-68.59	393.73	11.11	-57.48
CC1=C(N=NC2CCC(C3=[NH+]C=CN3C)C2)C=CC=C1C(=O)[O-]	REAL300000105354	1	43	0.0	-66.82	344.62	9.19	-57.63
CC1=C(NN=CC2=CC=NN2C2=CC=[NH+]C=C2)C=CC=C1C(=O)[O-]	REAL300000105361	1	39	0.0	-76.47	329.98	8.41	-68.06
CC1=C(N=NCC2(C(C)(C)C)CC[N@H+](CC3=CC=CC=C3)C2)C=CC=C1C(=O)[O-]	REAL300000105362	0	60	0.0	-63.37	438.67	12.73	-50.64
CC1=C(N=NCC2(C(C)(C)C)CC[N@@H+](CC3=CC=CC=C3)C2)C=CC=C1C(=O)[O-]	REAL300000105362	1	60	0.0	-65.38	443.95	12.96	-52.42
CC1=C(N=NCC2CC[NH+](CC3=CC=CC=C3)CC2)C=CC=C1C(=O)[O-]	REAL300000105395	0	51	0.0	-73.92	396.52	11.53	-62.39
CC1=C(N=NC2CCC(C)([NH+](C)C)CC2)C=CC=C1C(=O)[O-]	REAL300000105480	0	47	0.0	-73.03	342.63	8.47	-64.56
CC1=C(N=NC2CCC[N@@H+]3CCSCC23)C=CC=C1C(=O)[O-]	REAL300000105518	1	43	0.0	-73.91	338.57	8.73	-65.18
CC1=C(N=NC2CCC[N@H+]3CCSCC23)C=CC=C1C(=O)[O-]	REAL300000105518	1	43	0.0	-73.79	340.07	9.11	-64.68
CC(=[NH+]NC1=CC=CC(C(=O)[O-])=C1C)C1=C(C)C=C(N)C=C1C	REAL300000105564	1	44	0.0	-57.50	346.77	8.32	-49.18
CC1=C(N=NC2CC[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@H]23)C=CC=C1C(=O)[O-]	REAL300000105584	0	52	0.0	-73.22	399.23	11.99	-61.23
CC1=C(N=NC2CC[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@H]23)C=CC=C1C(=O)[O-]	REAL300000105584	1	52	0.0	-72.46	396.30	12.56	-59.90
CC1=C(N=NC2CCC(C)([NH+]3CCCC3)CC2)C=CC=C1C(=O)[O-]	REAL300000105597	0	51	0.0	-70.78	369.62	9.65	-61.13
CC1=C(N=NC2CC3CC(C2)[N@H+](CC2=CC=CC=C2)C3)C=CC=C1C(=O)[O-]	REAL300000105612	0	52	0.0	-73.25	379.48	10.74	-62.51
CC1=C(N=NC2CC3CC(C2)[N@@H+](CC2=CC=CC=C2)C3)C=CC=C1C(=O)[O-]	REAL300000105612	1	52	0.0	-73.42	379.61	10.76	-62.66
CCN1CCC2=CC(C=[NH+]NC3=CC=CC(C(=O)[O-])=C3C)=CC=C21	REAL300000105727	1	45	0.0	-69.03	354.55	9.54	-59.49
CC1=C(N=NC2CCC(C)[N@@H+](CC3=CC=CC=C3)C2)C=CC=C1C(=O)[O-]	REAL300000105842	0	51	0.0	-72.78	396.59	11.39	-61.39
CC1=C(N=NC2CCC(C)[N@H+](CC3=CC=CC=C3)C2)C=CC=C1C(=O)[O-]	REAL300000105842	1	51	0.0	-71.21	390.13	11.62	-59.59
CC1=C(NN=CC2=CC=C(CC[NH+](C)C)C=C2)C=CC=C1C(=O)[O-]	REAL300000105896	0	47	0.0	-80.30	375.82	11.67	-68.63
CC1=C(N=NC2CCC[C@H]3C[N@@H+](C)C[C@H]32)C=CC=C1C(=O)[O-]	REAL300000105985	0	45	0.0	-74.77	338.82	8.64	-66.13
CC1=C(N=NC2CCC[C@H]3C[N@H+](C)C[C@H]32)C=CC=C1C(=O)[O-]	REAL300000105985	1	45	0.0	-77.55	341.65	8.97	-68.58
CCN1CCCC2=CC(C=[NH+]NC3=CC=CC(C(=O)[O-])=C3C)=CC=C21	REAL300000106039	1	48	0.0	-67.49	366.56	10.05	-57.44
CC1=C(N=NC2CCC3CCC(C2)[N@@H+]3CC2=CC=CC=C2)C=CC=C1C(=O)[O-]	REAL300000106227	0	55	0.0	-71.60	397.30	11.59	-60.01
CC1=C(N=NC2CCC3CCC(C2)[N@H+]3CC2=CC=CC=C2)C=CC=C1C(=O)[O-]	REAL300000106227	1	55	0.0	-71.63	398.58	11.70	-59.93
CCN(C)C1=CC=C(C=[NH+]NC2=CC=CC(C(=O)[O-])=C2C)C(C)=C1	REAL300000106245	1	47	0.0	-62.15	364.58	10.82	-51.33
CC1=C(N[NH+]=CC2=CC=C(N3CCC(O)C3)C=C2)C=CC=C1C(=O)[O-]	REAL300000106312	1	46	0.0	-68.67	362.55	6.09	-62.58
CC1C[N@H+](C)CC(C(=O)NN=CC2=CC=C(C(=O)[O-])C=C2)O1	REAL300000107936	1	41	0.0	-93.39	335.10	7.09	-86.30
CC1C[N@@H+](C)CC(C(=O)NN=CC2=CC=C(C(=O)[O-])C=C2)O1	REAL300000107936	1	41	0.0	-84.71	334.74	6.94	-77.77
CC1C[N@H+](C)CC(C(=O)NN=CC2=CC=CC=C2OCC(=O)[O-])O1	REAL300000107937	1	45	0.0	-92.34	360.19	7.93	-84.41
CC1C[N@@H+](C)CC(C(=O)NN=CC2=CC=CC=C2OCC(=O)[O-])O1	REAL300000107937	1	45	0.0	-92.32	360.20	7.93	-84.39
CC(=NNC(=O)C1C[N@@H+](C)CC(C)O1)C1=CC=C(C2=CC=C(C(=O)[O-])O2)C=C1	REAL300000107938	1	51	0.0	-94.21	410.10	9.87	-84.34
CC(=NNC(=O)C1C[N@H+](C)CC(C)O1)C1=CC=C(C2=CC=C(C(=O)[O-])O2)C=C1	REAL300000107938	1	51	0.0	-101.04	410.12	9.86	-91.18
COC1=CC(C=NNC(=O)C2C[N@H+](C)CC(C)O2)=CC=C1OCC(=O)[O-]	REAL300000107939	1	49	0.0	-98.37	395.09	6.75	-91.62
COC1=CC(C=NNC(=O)C2C[N@@H+](C)CC(C)O2)=CC=C1OCC(=O)[O-]	REAL300000107939	1	49	0.0	-96.24	395.59	7.16	-89.08
CC1C[N@H+](C)CC(C(=O)NN=CC2=CC=C(OCC(=O)[O-])C=C2)O1	REAL300000107940	1	45	0.0	-90.76	366.36	7.41	-83.35
CC1C[N@@H+](C)CC(C(=O)NN=CC2=CC=C(OCC(=O)[O-])C=C2)O1	REAL300000107940	1	45	0.0	-92.88	365.88	7.00	-85.88
CC(=NNC(=O)C1C[N@@H+](C)CC(C)O1)C1=CC=CC(OCC(=O)[O-])=C1	REAL300000107941	1	48	0.0	-96.82	380.25	7.98	-88.84
CC(=NNC(=O)C1C[N@H+](C)CC(C)O1)C1=CC=CC(OCC(=O)[O-])=C1	REAL300000107941	1	48	0.0	-98.45	387.02	8.00	-90.45
CC1C[N@H+](C)CC(C(=O)NN=CC2=CC=CC=C2C(=O)[O-])O1	REAL300000107942	1	41	0.0	-69.32	329.56	6.88	-62.44
CC1C[N@@H+](C)CC(C(=O)NN=CC2=CC=CC=C2C(=O)[O-])O1	REAL300000107942	1	41	0.0	-69.74	329.57	6.88	-62.86
CC(=NNC(=O)C1C[N@@H+](C)CC(C)O1)C1=CC=C(C(=O)[O-])C=C1	REAL300000107943	1	44	0.0	-93.06	348.93	7.65	-85.41
CC(=NNC(=O)C1C[N@H+](C)CC(C)O1)C1=CC=C(C(=O)[O-])C=C1	REAL300000107943	1	44	0.0	-94.58	355.67	7.67	-86.91
CC(=NNC(=O)C1C[N@@H+](C)CC(C)O1)C1=CC=C(CC(=O)[O-])C=C1	REAL300000107944	1	47	0.0	-88.09	371.35	8.48	-79.61
CC(=NNC(=O)C1C[N@H+](C)CC(C)O1)C1=CC=C(CC(=O)[O-])C=C1	REAL300000107944	1	47	0.0	-90.62	378.10	8.50	-82.12
CC1=C(C(=O)[O-])OC2=C1C(=NNC(=O)C1C[N@@H+](C)CC(C)O1)CCC2	REAL300000107945	1	48	0.0	-98.43	372.62	7.99	-90.44
CC1=C(C(=O)[O-])OC2=C1C(=NNC(=O)C1C[N@H+](C)CC(C)O1)CCC2	REAL300000107945	1	48	0.0	-98.05	372.59	7.98	-90.07
CC1C[N@H+](C)CC(C(=O)NN=CC2=CC=C(OCCC(=O)[O-])C=C2)O1	REAL300000107946	1	48	0.0	-89.57	387.31	7.53	-82.04
CC1C[N@@H+](C)CC(C(=O)NN=CC2=CC=C(OCCC(=O)[O-])C=C2)O1	REAL300000107946	1	48	0.0	-91.67	386.83	7.13	-84.54
CC(OC1=CC(C=NNC(=O)C2C[N@H+](C)CC(C)O2)=CC=C1)C(=O)[O-]	REAL300000107947	1	48	0.0	-86.47	383.59	7.58	-78.89
CC(OC1=CC(C=NNC(=O)C2C[N@@H+](C)CC(C)O2)=CC=C1)C(=O)[O-]	REAL300000107947	1	48	0.0	-85.33	384.30	7.99	-77.34
CC1C[N@H+](C)CC(C(=O)NN=CC2=CC=CC(OCCC(=O)[O-])=C2)O1	REAL300000107948	1	48	0.0	-84.21	387.34	7.52	-76.69
CC1C[N@@H+](C)CC(C(=O)NN=CC2=CC=CC(OCCC(=O)[O-])=C2)O1	REAL300000107948	1	48	0.0	-86.24	386.85	7.12	-79.12
CC1C[N@H+](C)CC(C(=O)NN=CC2=CC=C(OCC(=O)[O-])C([N+](=O)[O-])=C2)O1	REAL300000107949	1	47	0.0	-99.01	392.36	8.57	-90.44
CC1C[N@@H+](C)CC(C(=O)NN=CC2=CC=C(OCC(=O)[O-])C([N+](=O)[O-])=C2)O1	REAL300000107949	1	47	0.0	-99.00	392.38	8.57	-90.43
CC1C[N@H+](C)CC(C(=O)NN=CC2=CC=CC(OCC(=O)[O-])=C2)O1	REAL300000107950	1	45	0.0	-83.99	366.39	7.40	-76.59
CC1C[N@@H+](C)CC(C(=O)NN=CC2=CC=CC(OCC(=O)[O-])=C2)O1	REAL300000107950	1	45	0.0	-83.97	366.43	7.40	-76.57
COC1=CC=C(C=NNC(=O)C2C[N@H+](C)CC(C)O2)C(OCC(=O)[O-])=C1	REAL300000107951	1	49	0.0	-95.21	389.56	7.24	-87.97
COC1=CC=C(C=NNC(=O)C2C[N@@H+](C)CC(C)O2)C(OCC(=O)[O-])=C1	REAL300000107951	1	49	0.0	-95.25	389.55	7.25	-88.00
CC1C[N@H+](C)CC(C(=O)NN=CC2=CC=C(OC(F)(F)C(=O)[O-])C=C2)O1	REAL300000107952	1	45	0.0	-89.00	375.69	6.94	-82.06
CC1C[N@@H+](C)CC(C(=O)NN=CC2=CC=C(OC(F)(F)C(=O)[O-])C=C2)O1	REAL300000107952	1	45	0.0	-90.65	375.15	7.17	-83.48
CC1C[N@H+](C)CC(C(=O)NN=CC2=C(Br)C=C(C(=O)[O-])N2C)O1	REAL300000107953	1	42	0.0	-87.23	356.56	6.99	-80.24
CC1C[N@@H+](C)CC(C(=O)NN=CC2=C(Br)C=C(C(=O)[O-])N2C)O1	REAL300000107953	1	42	0.0	-87.06	356.58	6.99	-80.07
COC1=C2OC(C(=O)[O-])=CC2=C(C=NNC(=O)C2C[N@H+](C)CC(C)O2)C=C1	REAL300000107954	1	48	0.0	-107.83	390.98	7.21	-100.62
COC1=C2OC(C(=O)[O-])=CC2=C(C=NNC(=O)C2C[N@@H+](C)CC(C)O2)C=C1	REAL300000107954	1	48	0.0	-107.79	390.95	7.21	-100.58
CCC(=NNC(=O)C1C[N@H+](C)CC(C)O1)C1=CC=C(C(=O)[O-])C=C1	REAL300000107955	1	47	0.0	-94.29	369.87	7.96	-86.33
CCC(=NNC(=O)C1C[N@@H+](C)CC(C)O1)C1=CC=C(C(=O)[O-])C=C1	REAL300000107955	1	47	0.0	-92.14	370.39	8.36	-83.78
CC(=NNC(=O)C1C[N@@H+](C)CC(C)O1)C1=CC=CC=C1C(=O)[O-]	REAL300000107956	1	44	0.0	-80.10	345.87	6.98	-73.12
CC(=NNC(=O)C1C[N@H+](C)CC(C)O1)C1=CC=CC=C1C(=O)[O-]	REAL300000107956	1	44	0.0	-75.50	346.02	6.98	-68.52
CC(=NNC(=O)C1C[N@@H+](C)CC(C)O1)C1=CC(C(=O)[O-])=CC=C1O	REAL300000107957	1	45	0.0	-84.75	357.28	4.78	-79.97
CC(=NNC(=O)C1C[N@H+](C)CC(C)O1)C1=CC(C(=O)[O-])=CC=C1O	REAL300000107957	1	45	0.0	-85.33	357.29	4.78	-80.55
CCC(=NNC(=O)C1C[N@H+](C)CC(C)O1)C1=CC(C(=O)[O-])=CC=C1F	REAL300000107958	1	47	0.0	-81.68	375.06	8.55	-73.13
CCC(=NNC(=O)C1C[N@@H+](C)CC(C)O1)C1=CC(C(=O)[O-])=CC=C1F	REAL300000107958	1	47	0.0	-81.61	374.92	8.56	-73.05
CC1C[N@H+](C)CC(C(=O)NN=CC2=C3C=CC(C(=O)[O-])=CC3=NN2)O1	REAL300000107959	1	44	0.0	-102.18	360.08	5.81	-96.37
CC1C[N@@H+](C)CC(C(=O)NN=CC2=C3C=CC(C(=O)[O-])=CC3=NN2)O1	REAL300000107959	1	44	0.0	-102.17	360.12	5.81	-96.36
CC(=NNC(=O)C1C[N@@H+](C)CC(C)O1)C1=CC=CC(C(=O)[O-])=C1	REAL300000107960	1	44	0.0	-101.47	349.17	7.69	-93.78
CC(=NNC(=O)C1C[N@H+](C)CC(C)O1)C1=CC=CC(C(=O)[O-])=C1	REAL300000107960	1	44	0.0	-103.20	355.94	7.71	-95.49
CC1C[N@H+](C)CC(C(=O)NN=CC2=CN(CC(=O)[O-])N=N2)O1	REAL300000107961	1	40	0.0	-95.84	333.14	3.87	-91.97
CC1C[N@@H+](C)CC(C(=O)NN=CC2=CN(CC(=O)[O-])N=N2)O1	REAL300000107961	1	40	0.0	-96.64	339.93	3.88	-92.76
CC(=NNC(=O)C1C[N@@H+](C)CC(C)O1)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000107962	1	44	0.0	-97.13	353.52	7.72	-89.41
CC(=NNC(=O)C1C[N@H+](C)CC(C)O1)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000107962	1	44	0.0	-96.06	360.29	7.73	-88.33
CC1C[N@H+](C)CC(C(=O)NN=CC2=CC(C(=O)[O-])=CS2)O1	REAL300000107963	1	38	0.0	-85.45	327.02	6.15	-79.30
CC1C[N@@H+](C)CC(C(=O)NN=CC2=CC(C(=O)[O-])=CS2)O1	REAL300000107963	1	38	0.0	-85.44	327.03	6.15	-79.29
COC1=CC(C=NNC(=O)C2C[N@H+](C)CC(C)O2)=CC=C1OCCC(=O)[O-]	REAL300000107964	1	52	0.0	-94.73	416.03	7.03	-87.70
COC1=CC(C=NNC(=O)C2C[N@@H+](C)CC(C)O2)=CC=C1OCCC(=O)[O-]	REAL300000107964	1	52	0.0	-92.57	416.54	7.44	-85.13
CC1C[N@H+](C)CC(C(=O)NN=CC2=CC=C(C(=O)[O-])C=C2Cl)O1	REAL300000107965	1	41	0.0	-93.51	346.86	7.39	-86.12
CC1C[N@@H+](C)CC(C(=O)NN=CC2=CC=C(C(=O)[O-])C=C2Cl)O1	REAL300000107965	1	41	0.0	-91.50	347.39	7.79	-83.71
CC(=NNC(=O)C1C[N@@H+](C)CC(C)O1)C1=CC(C(=O)[O-])=C(C)N=C1C	REAL300000107966	1	49	0.0	-93.32	384.85	6.52	-86.80
CC(=NNC(=O)C1C[N@H+](C)CC(C)O1)C1=CC(C(=O)[O-])=C(C)N=C1C	REAL300000107966	1	49	0.0	-89.90	380.91	6.81	-83.09
CC1C[N@H+](C)CC(C(=O)NN=CC2=CC=C(O)C(C(=O)[O-])=C2)O1	REAL300000107967	1	42	0.0	-84.81	344.14	5.17	-79.64
CC1C[N@@H+](C)CC(C(=O)NN=CC2=CC=C(O)C(C(=O)[O-])=C2)O1	REAL300000107967	1	42	0.0	-84.97	344.16	5.17	-79.80
CC(=NNC(=O)C1C[N@@H+](C)CC(C)O1)C1=CC(C(=O)[O-])=CC=C1C	REAL300000107968	1	47	0.0	-96.50	369.42	7.70	-88.80
CC(=NNC(=O)C1C[N@H+](C)CC(C)O1)C1=CC(C(=O)[O-])=CC=C1C	REAL300000107968	1	47	0.0	-85.33	364.51	8.18	-77.15
CC(=NNC(=O)C1C[N@@H+](C)CC(C)O1)C1=CC=C(C(=O)[O-])O1	REAL300000107969	1	41	0.0	-85.98	335.39	6.31	-79.67
CC(=NNC(=O)C1C[N@H+](C)CC(C)O1)C1=CC=C(C(=O)[O-])O1	REAL300000107969	1	41	0.0	-85.82	335.43	6.32	-79.50
CC(OC1=CC=C(C=NNC(=O)C2C[N@H+](C)CC(C)O2)C=C1)C(=O)[O-]	REAL300000107970	1	48	0.0	-93.46	383.73	7.60	-85.86
CC(OC1=CC=C(C=NNC(=O)C2C[N@@H+](C)CC(C)O2)C=C1)C(=O)[O-]	REAL300000107970	1	48	0.0	-91.44	384.21	8.00	-83.44
CC1C[N@H+](C)CC(C(=O)NN=C2CCC(C(=O)[O-])C3=CC=CC=C32)O1	REAL300000107971	1	48	0.0	-84.96	371.23	8.76	-76.20
CC1C[N@@H+](C)CC(C(=O)NN=C2CCC(C(=O)[O-])C3=CC=CC=C32)O1	REAL300000107971	1	48	0.0	-81.75	373.70	8.64	-73.11
CC1C[N@H+](C)CC(C(=O)NN=CC2=CN(CC(=O)[O-])C3=CC=CC=C23)O1	REAL300000107972	1	48	0.0	-83.99	389.97	9.41	-74.58
CC1C[N@@H+](C)CC(C(=O)NN=CC2=CN(CC(=O)[O-])C3=CC=CC=C23)O1	REAL300000107972	1	48	0.0	-86.51	396.74	9.44	-77.07
CC1=C(C(=O)[O-])C=C(C=NNC(=O)C2C[N@@H+](C)CC(C)O2)N1	REAL300000107973	1	42	0.0	-100.57	340.61	5.36	-95.21
CC1=C(C(=O)[O-])C=C(C=NNC(=O)C2C[N@H+](C)CC(C)O2)N1	REAL300000107973	1	42	0.0	-102.33	347.36	5.38	-96.95
CC1C[N@H+](C)CC(C(=O)NN=CC2=CC=CC(C(=O)[O-])=C2)O1	REAL300000107974	1	41	0.0	-83.42	335.33	7.11	-76.31
CC1C[N@@H+](C)CC(C(=O)NN=CC2=CC=CC(C(=O)[O-])=C2)O1	REAL300000107974	1	41	0.0	-85.36	334.84	6.71	-78.65
CC(=NNC(=O)C1C[N@@H+](C)CC(C)O1)C1=CC=CC(OCCCC(=O)[O-])=C1	REAL300000107975	1	54	0.0	-94.63	422.69	8.87	-85.76
CC(=NNC(=O)C1C[N@H+](C)CC(C)O1)C1=CC=CC(OCCCC(=O)[O-])=C1	REAL300000107975	1	54	0.0	-96.37	429.46	8.89	-87.48
CC(CCC1=CC=C(OC(C)C(=O)[O-])C=C1)=NNC(=O)C1C[N@H+](C)CC(C)O1	REAL300000107976	1	57	0.0	-94.80	451.71	10.17	-84.63
CC(CCC1=CC=C(OC(C)C(=O)[O-])C=C1)=NNC(=O)C1C[N@@H+](C)CC(C)O1	REAL300000107976	1	57	0.0	-93.18	443.22	10.08	-83.10
CC(CCC1=CC=C(OCC(=O)[O-])C=C1)=NNC(=O)C1C[N@@H+](C)CC(C)O1	REAL300000107977	1	54	0.0	-92.76	425.36	9.49	-83.27
CC(CCC1=CC=C(OCC(=O)[O-])C=C1)=NNC(=O)C1C[N@H+](C)CC(C)O1	REAL300000107977	1	54	0.0	-94.11	433.83	9.58	-84.53
CC(=NNC(=O)C1C[N@H+](C)CC(C)O1)C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000107978	1	51	0.0	-99.09	404.89	8.59	-90.50
CC(=NNC(=O)C1C[N@@H+](C)CC(C)O1)C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000107978	1	51	0.0	-97.86	398.12	8.57	-89.29
CC(CCC1=CC=C(OCCC(=O)[O-])C=C1)=NNC(=O)C1C[N@@H+](C)CC(C)O1	REAL300000107979	1	57	0.0	-87.78	446.31	9.61	-78.17
CC(CCC1=CC=C(OCCC(=O)[O-])C=C1)=NNC(=O)C1C[N@H+](C)CC(C)O1	REAL300000107979	1	57	0.0	-88.88	454.78	9.70	-79.18
CC(=NNC(=O)C1C[N@@H+](C)CC(C)O1)C1=CSC(C(=O)[O-])=C1	REAL300000107980	1	41	0.0	-96.52	341.75	6.79	-89.73
CC(=NNC(=O)C1C[N@H+](C)CC(C)O1)C1=CSC(C(=O)[O-])=C1	REAL300000107980	1	41	0.0	-98.17	348.50	6.80	-91.37
CC1C[N@H+](C)CC(C(=O)NN=C2CC(C(=O)[O-])(C3=CC=CC=C3)C2)O1	REAL300000107981	1	48	0.0	-77.23	376.14	8.23	-69.00
CC1C[N@@H+](C)CC(C(=O)NN=C2CC(C(=O)[O-])(C3=CC=CC=C3)C2)O1	REAL300000107981	1	48	0.0	-75.49	376.66	8.63	-66.86
CC(=NNC(=O)C1C[N@@H+](C)CC(C)O1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	REAL300000107982	1	53	0.0	-83.83	392.03	8.89	-74.94
CC(=NNC(=O)C1C[N@H+](C)CC(C)O1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	REAL300000107982	1	53	0.0	-87.42	398.57	8.90	-78.52
CC(CCCCCCC(=O)[O-])=NNC(=O)C1C[N@@H+](C)CC(C)O1	REAL300000107983	1	52	0.0	-87.37	399.53	8.67	-78.70
CC(CCCCCCC(=O)[O-])=NNC(=O)C1C[N@H+](C)CC(C)O1	REAL300000107983	1	52	0.0	-89.26	408.01	8.76	-80.50
CC1C(=NNC(=O)C2C[N@H+](C)CC(C)O2)CCC1CC(=O)[O-]	REAL300000107984	1	47	0.0	-71.52	352.82	6.92	-64.60
CC1C(=NNC(=O)C2C[N@@H+](C)CC(C)O2)CCC1CC(=O)[O-]	REAL300000107984	1	47	0.0	-71.51	353.19	6.93	-64.58
CC(=NNC(=O)C1C[N@@H+](C)CC(C)O1)C1=CC(C(=O)[O-])=CS1	REAL300000107985	1	41	0.0	-99.96	342.10	6.41	-93.55
CC(=NNC(=O)C1C[N@H+](C)CC(C)O1)C1=CC(C(=O)[O-])=CS1	REAL300000107985	1	41	0.0	-99.98	342.10	6.41	-93.57
CC1C[N@H+](C)CC(C(=O)NN=C2CCC(C(=O)[O-])C(C)(C)C2C)O1	REAL300000107986	1	53	0.0	-79.93	375.34	7.73	-72.20
CC1C[N@@H+](C)CC(C(=O)NN=C2CCC(C(=O)[O-])C(C)(C)C2C)O1	REAL300000107986	1	53	0.0	-83.44	376.80	7.19	-76.25
CC1C[N@H+](C)CC(C(=O)NN=C2CCC(C(=O)[O-])CC2C)O1	REAL300000107987	1	47	0.0	-82.14	353.47	6.91	-75.23
CC1C[N@@H+](C)CC(C(=O)NN=C2CCC(C(=O)[O-])CC2C)O1	REAL300000107987	1	47	0.0	-69.57	353.85	7.19	-62.38
CC1C[N@H+](C)CC(C(=O)NN=C2CCC(C(=O)[O-])C(C)C2)O1	REAL300000107988	1	47	0.0	-78.49	352.37	6.88	-71.61
CC1C[N@@H+](C)CC(C(=O)NN=C2CCC(C(=O)[O-])C(C)C2)O1	REAL300000107988	1	47	0.0	-73.99	349.49	6.93	-67.06
CC1C[N@H+](C)CC(C(=O)NN=C2CC(C(=O)[O-])(C3=CC=CC(Cl)=C3)C2)O1	REAL300000107989	1	48	0.0	-75.09	400.11	9.16	-65.93
CC1C[N@@H+](C)CC(C(=O)NN=C2CC(C(=O)[O-])(C3=CC=CC(Cl)=C3)C2)O1	REAL300000107989	1	48	0.0	-74.30	393.40	9.14	-65.16
CC1C[N@H+](C)CC(C(=O)NN=C2CCCC3=CC(C(=O)[O-])=CC=C32)O1	REAL300000107990	1	48	0.0	-95.01	372.37	8.79	-86.22
CC1C[N@@H+](C)CC(C(=O)NN=C2CCCC3=CC(C(=O)[O-])=CC=C32)O1	REAL300000107990	1	48	0.0	-96.46	379.07	8.81	-87.65
CC(CC1(C(=O)[O-])CCC1)=NNC(=O)C1C[N@@H+](C)CC(C)O1	REAL300000107991	1	47	0.0	-77.31	351.51	7.05	-70.26
CC(CC1(C(=O)[O-])CCC1)=NNC(=O)C1C[N@H+](C)CC(C)O1	REAL300000107991	1	47	0.0	-86.16	351.73	7.07	-79.09
CC(=NNC(=O)C1C[N@@H+](C)CC(C)O1)C1=C(CC(=O)[O-])C2=CC=C(C)C=C2O1	REAL300000107992	1	53	0.0	-96.48	420.32	9.86	-86.62
CC(=NNC(=O)C1C[N@H+](C)CC(C)O1)C1=C(CC(=O)[O-])C2=CC=C(C)C=C2O1	REAL300000107992	1	53	0.0	-96.59	420.34	9.86	-86.73
CC1=CC(C)=C(C(=O)[O-])C=C1C=NNC(=O)C1C[N@@H+](C)CC(C)O1	REAL300000107993	1	47	0.0	-81.45	366.90	8.57	-72.88
CC1=CC(C)=C(C(=O)[O-])C=C1C=NNC(=O)C1C[N@H+](C)CC(C)O1	REAL300000107993	1	47	0.0	-81.79	366.92	8.58	-73.21
CC1C[N@H+](C)CC(C(=O)NN=CC2=CC=CC(C(=O)[O-])=C2Cl)O1	REAL300000107994	1	41	0.0	-97.71	343.33	7.71	-90.00
CC1C[N@@H+](C)CC(C(=O)NN=CC2=CC=CC(C(=O)[O-])=C2Cl)O1	REAL300000107994	1	41	0.0	-99.45	350.08	7.73	-91.72
CC1C[N@H+](C)CC(C(=O)NN=C2CCCCC3=CC(C(=O)[O-])=CC=C32)O1	REAL300000107995	1	51	0.0	-68.50	391.16	9.17	-59.33
CC1C[N@@H+](C)CC(C(=O)NN=C2CCCCC3=CC(C(=O)[O-])=CC=C32)O1	REAL300000107995	1	51	0.0	-68.50	391.06	9.17	-59.33
CC1C[N@H+](C)CC(C(=O)NN=CC2=C(C(=O)[O-])C=NN2C)O1	REAL300000107996	1	41	0.0	-95.62	330.05	5.27	-90.35
CC1C[N@@H+](C)CC(C(=O)NN=CC2=C(C(=O)[O-])C=NN2C)O1	REAL300000107996	1	41	0.0	-95.56	330.06	5.27	-90.29
CC1C[N@H+](C)CC(C(=O)NN=CC2=CC=C(C(=O)[O-])C(F)=C2)O1	REAL300000107997	1	41	0.0	-97.87	339.73	7.15	-90.72
CC1C[N@@H+](C)CC(C(=O)NN=CC2=CC=C(C(=O)[O-])C(F)=C2)O1	REAL300000107997	1	41	0.0	-95.08	339.74	7.14	-87.94
CC1C[N@H+](C)CC(C(=O)NN=CC2=CC=C(C=CC(=O)[O-])O2)O1	REAL300000107998	1	42	0.0	-104.00	353.70	5.04	-98.96
CC1C[N@@H+](C)CC(C(=O)NN=CC2=CC=C(C=CC(=O)[O-])O2)O1	REAL300000107998	1	42	0.0	-105.75	360.47	5.06	-100.69
CC(=NNC(=O)C1C[N@H+](C)CC(C)O1)C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000107999	1	54	0.0	-85.06	415.48	8.47	-76.59
CC(=NNC(=O)C1C[N@@H+](C)CC(C)O1)C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000107999	1	54	0.0	-85.08	415.48	8.47	-76.61
CC1C[N@H+](C)CC(C(=O)NN=C2CCC3=CC=CC(C(=O)[O-])=C32)O1	REAL300000108000	1	45	0.0	-100.10	351.88	8.41	-91.69
CC1C[N@@H+](C)CC(C(=O)NN=C2CCC3=CC=CC(C(=O)[O-])=C32)O1	REAL300000108000	1	45	0.0	-101.84	358.61	8.43	-93.41
CC1C[N@H+](C)CC(C(=O)NN=CC2=CC=C(C3=CC=C(C(=O)[O-])C=C3)C=C2)O1	REAL300000108001	1	51	0.0	-96.44	409.29	10.51	-85.93
CC1C[N@@H+](C)CC(C(=O)NN=CC2=CC=C(C3=CC=C(C(=O)[O-])C=C3)C=C2)O1	REAL300000108001	1	51	0.0	-96.49	409.30	10.52	-85.97
CC(=NNC(=O)C1C[N@@H+](C)CC(C)O1)C1=CN=CC(C(=O)[O-])=C1	REAL300000108002	1	43	0.0	-95.16	344.35	5.89	-89.27
CC(=NNC(=O)C1C[N@H+](C)CC(C)O1)C1=CN=CC(C(=O)[O-])=C1	REAL300000108002	1	43	0.0	-95.08	344.36	5.89	-89.19
CC1C[N@H+](C)CC(C(=O)NN=CC2=CNC3=CC=C(C(=O)[O-])C=C23)O1	REAL300000108003	1	45	0.0	-110.67	365.95	7.18	-103.49
CC1C[N@@H+](C)CC(C(=O)NN=CC2=CNC3=CC=C(C(=O)[O-])C=C23)O1	REAL300000108003	1	45	0.0	-112.50	372.73	7.21	-105.29
CC1C[N@H+](C)CC(C(=O)NN=CC2=CC=C(C(=O)[O-])N=C2)O1	REAL300000108004	1	40	0.0	-97.63	331.02	5.34	-92.29
CC1C[N@@H+](C)CC(C(=O)NN=CC2=CC=C(C(=O)[O-])N=C2)O1	REAL300000108004	1	40	0.0	-97.63	331.05	5.35	-92.28
CC1C[N@H+](C)CC(C(=O)NN=CC2=CC=C(C(=O)[O-])C(O)=C2)O1	REAL300000108005	1	42	0.0	-94.73	344.01	5.17	-89.56
CC1C[N@@H+](C)CC(C(=O)NN=CC2=CC=C(C(=O)[O-])C(O)=C2)O1	REAL300000108005	1	42	0.0	-96.71	343.49	4.76	-91.95
CC1=CC=C(C=NNC(=O)C2C[N@@H+](C)CC(C)O2)C=C1C(=O)[O-]	REAL300000108006	1	44	0.0	-82.06	351.32	7.65	-74.41
CC1=CC=C(C=NNC(=O)C2C[N@H+](C)CC(C)O2)C=C1C(=O)[O-]	REAL300000108006	1	44	0.0	-82.06	351.35	7.65	-74.41
CC1C[N@H+](C)CC(C(=O)NN=CC2=CC(C(=O)[O-])=C(Cl)S2)O1	REAL300000108007	1	38	0.0	-84.57	340.68	6.67	-77.90
CC1C[N@@H+](C)CC(C(=O)NN=CC2=CC(C(=O)[O-])=C(Cl)S2)O1	REAL300000108007	1	38	0.0	-84.54	340.69	6.67	-77.87
CC(=NNC(=O)C1C[N@@H+](C)CC(C)O1)C1=CC=C(C(=O)[O-])C=C1C	REAL300000108008	1	47	0.0	-95.99	369.06	7.67	-88.32
CC(=NNC(=O)C1C[N@H+](C)CC(C)O1)C1=CC=C(C(=O)[O-])C=C1C	REAL300000108008	1	47	0.0	-96.56	369.19	7.68	-88.88
CC1C[N@H+](C)CC(C(=O)NN=CC2=CC(Cl)=NC=C2C(=O)[O-])O1	REAL300000108009	1	40	0.0	-64.13	341.71	5.55	-58.58
CC1C[N@@H+](C)CC(C(=O)NN=CC2=CC(Cl)=NC=C2C(=O)[O-])O1	REAL300000108009	1	40	0.0	-64.47	341.75	5.56	-58.91
CC1C[N@H+](C)CC(C(=O)NN=CC2=CC(C(=O)[O-])=NN2C)O1	REAL300000108010	1	41	0.0	-103.69	338.44	4.73	-98.96
CC1C[N@@H+](C)CC(C(=O)NN=CC2=CC(C(=O)[O-])=NN2C)O1	REAL300000108010	1	41	0.0	-103.62	338.48	4.74	-98.88
CC1C[N@H+](C)CC(C(=O)NN=CC2=CC=C(C3=CC=C(O)C(C(=O)[O-])=C3)O2)O1	REAL300000108011	1	49	0.0	-108.56	405.32	6.92	-101.64
CC1C[N@@H+](C)CC(C(=O)NN=CC2=CC=C(C3=CC=C(O)C(C(=O)[O-])=C3)O2)O1	REAL300000108011	1	49	0.0	-108.51	405.33	6.92	-101.59
CC1C[N@H+](C)CC(C(=O)NN=CC2=CC(C(=O)[O-])=CN2C)O1	REAL300000108012	1	42	0.0	-103.28	343.31	6.54	-96.74
CC1C[N@@H+](C)CC(C(=O)NN=CC2=CC(C(=O)[O-])=CN2C)O1	REAL300000108012	1	42	0.0	-103.23	343.32	6.54	-96.69
CC1C[N@H+](C)CC(C(=O)NN=CC2=CC(C(=O)[O-])=CC=C2N(C)C)O1	REAL300000108013	1	49	0.0	-80.98	387.17	7.97	-73.01
CC1C[N@@H+](C)CC(C(=O)NN=CC2=CC(C(=O)[O-])=CC=C2N(C)C)O1	REAL300000108013	1	49	0.0	-80.97	387.21	7.97	-73.00
CC1=C(C(=O)[O-])C=C(C=NNC(=O)C2C[N@@H+](C)CC(C)O2)O1	REAL300000108014	1	41	0.0	-87.45	338.65	5.97	-81.48
CC1=C(C(=O)[O-])C=C(C=NNC(=O)C2C[N@H+](C)CC(C)O2)O1	REAL300000108014	1	41	0.0	-87.43	337.08	5.92	-81.51
CC1C[N@H+](C)CC(C(=O)NN=CC2=CC=C(C3=CC=C(C(=O)[O-])C=C3)S2)O1	REAL300000108015	1	48	0.0	-97.37	403.57	9.78	-87.59
CC1C[N@@H+](C)CC(C(=O)NN=CC2=CC=C(C3=CC=C(C(=O)[O-])C=C3)S2)O1	REAL300000108015	1	48	0.0	-98.95	410.35	9.81	-89.14
CC1C[N@H+](C)CC(C(=O)NN=CC2=CC=C(C3=CC=CC(C(=O)[O-])=C3)S2)O1	REAL300000108016	1	48	0.0	-103.25	403.86	9.82	-93.43
CC1C[N@@H+](C)CC(C(=O)NN=CC2=CC=C(C3=CC=CC(C(=O)[O-])=C3)S2)O1	REAL300000108016	1	48	0.0	-104.93	410.65	9.84	-95.09
CCC1=CC(C(=O)[O-])=C(C=NNC(=O)C2C[N@H+](C)CC(C)O2)S1	REAL300000108017	1	44	0.0	-71.54	365.98	7.57	-63.97
CCC1=CC(C(=O)[O-])=C(C=NNC(=O)C2C[N@@H+](C)CC(C)O2)S1	REAL300000108017	1	44	0.0	-71.54	365.94	7.56	-63.98
COC1=CC=C(C(=O)[O-])C=C1C=NNC(=O)C1C[N@H+](C)CC(C)O1	REAL300000108018	1	45	0.0	-83.22	362.43	6.77	-76.45
COC1=CC=C(C(=O)[O-])C=C1C=NNC(=O)C1C[N@@H+](C)CC(C)O1	REAL300000108018	1	45	0.0	-83.20	362.42	6.77	-76.43
CC1C[N@H+](C)CC(C(=O)NN=CC2=CSC3=CC=C(C(=O)[O-])C=C23)O1	REAL300000108019	1	44	0.0	-102.11	368.87	8.56	-93.55
CC1C[N@@H+](C)CC(C(=O)NN=CC2=CSC3=CC=C(C(=O)[O-])C=C23)O1	REAL300000108019	1	44	0.0	-104.05	375.65	8.58	-95.47
CC1C[N@H+](C)CC(C(=O)NN=C2CCCC3=NC=C(C(=O)[O-])C=C23)O1	REAL300000108020	1	47	0.0	-97.62	367.94	7.02	-90.60
CC1C[N@@H+](C)CC(C(=O)NN=C2CCCC3=NC=C(C(=O)[O-])C=C23)O1	REAL300000108020	1	47	0.0	-97.68	375.06	7.04	-90.64
CC1C[N@H+](C)CC(C(=O)NN=CC2=CC(C(=O)[O-])=CC=C2Br)O1	REAL300000108021	1	41	0.0	-79.27	351.17	7.97	-71.30
CC1C[N@@H+](C)CC(C(=O)NN=CC2=CC(C(=O)[O-])=CC=C2Br)O1	REAL300000108021	1	41	0.0	-79.29	351.18	7.97	-71.32
CC1=CC=C(C=NNC(=O)C2C[N@@H+](C)CC(C)O2)C(C(=O)[O-])=C1	REAL300000108022	1	44	0.0	-69.63	350.94	7.55	-62.08
CC1=CC=C(C=NNC(=O)C2C[N@H+](C)CC(C)O2)C(C(=O)[O-])=C1	REAL300000108022	1	44	0.0	-70.00	350.96	7.55	-62.45
COC1=CC(C=NNC(=O)C2C[N@H+](C)CC(C)O2)=CC=C1C(=O)[O-]	REAL300000108023	1	45	0.0	-99.97	362.51	7.19	-92.78
COC1=CC(C=NNC(=O)C2C[N@@H+](C)CC(C)O2)=CC=C1C(=O)[O-]	REAL300000108023	1	45	0.0	-99.96	362.49	7.19	-92.77
CC1C[N@H+](C)CC(C(=O)NN=CC2=C(F)C=C(C(=O)[O-])C=C2F)O1	REAL300000108024	1	41	0.0	-83.30	345.14	7.29	-76.01
CC1C[N@@H+](C)CC(C(=O)NN=CC2=C(F)C=C(C(=O)[O-])C=C2F)O1	REAL300000108024	1	41	0.0	-85.30	344.63	6.88	-78.42
CC1=C(C(=O)[O-])NC(C=NNC(=O)C2C[N@@H+](C)CC(C)O2)=C1	REAL300000108025	1	42	0.0	-94.16	340.42	5.26	-88.90
CC1=C(C(=O)[O-])NC(C=NNC(=O)C2C[N@H+](C)CC(C)O2)=C1	REAL300000108025	1	42	0.0	-94.15	340.42	5.27	-88.88
CC1C[N@H+](C)CC(C(=O)NN=CC2=C(O)C(C(=O)[O-])=CC3=CC=CC=C32)O1	REAL300000108026	1	48	0.0	-99.96	384.71	7.57	-92.39
CC1C[N@@H+](C)CC(C(=O)NN=CC2=C(O)C(C(=O)[O-])=CC3=CC=CC=C32)O1	REAL300000108026	1	48	0.0	-99.50	384.73	7.58	-91.92
CC1C[N@H+](C)CC(C(=O)NN=CC2=CC=C(C3=CC=CC(CC(=O)[O-])=C3)C=C2)O1	REAL300000108027	1	54	0.0	-96.15	431.62	11.30	-84.85
CC1C[N@@H+](C)CC(C(=O)NN=CC2=CC=C(C3=CC=CC(CC(=O)[O-])=C3)C=C2)O1	REAL300000108027	1	54	0.0	-98.20	431.13	10.90	-87.30
CC1C[N@H+](C)CC(C(=O)NN=CC2=C(C(=O)[O-])C=C(Cl)S2)O1	REAL300000108028	1	38	0.0	-68.16	339.62	6.61	-61.55
CC1C[N@@H+](C)CC(C(=O)NN=CC2=C(C(=O)[O-])C=C(Cl)S2)O1	REAL300000108028	1	38	0.0	-68.27	339.66	6.61	-61.66
CC1C[N@H+](C)CC(C(=O)NN=CC2=C(C(=O)[O-])C=CS2)O1	REAL300000108029	1	38	0.0	-71.06	322.64	5.99	-65.07
CC1C[N@@H+](C)CC(C(=O)NN=CC2=C(C(=O)[O-])C=CS2)O1	REAL300000108029	1	38	0.0	-71.10	322.64	5.99	-65.11
CC1C[N@H+](C)CC(C(=O)NN=CC2=CSC(C(=O)[O-])=C2)O1	REAL300000108030	1	38	0.0	-82.96	327.12	6.19	-76.77
CC1C[N@@H+](C)CC(C(=O)NN=CC2=CSC(C(=O)[O-])=C2)O1	REAL300000108030	1	38	0.0	-85.01	326.63	5.78	-79.23
CCOC1=CC(C=NNC(=O)C2C[N@H+](C)CC(C)O2)=CC=C1OCC(=O)[O-]	REAL300000108031	1	52	0.0	-96.80	417.47	8.08	-88.72
CCOC1=CC(C=NNC(=O)C2C[N@@H+](C)CC(C)O2)=CC=C1OCC(=O)[O-]	REAL300000108031	1	52	0.0	-96.81	417.45	8.08	-88.73
CC1C[N@H+](C)CC(C(=O)NN=CC2=CN(C3CCOCC3)N=C2C(=O)[O-])O1	REAL300000108032	1	52	0.0	-103.14	405.19	5.76	-97.38
CC1C[N@@H+](C)CC(C(=O)NN=CC2=CN(C3CCOCC3)N=C2C(=O)[O-])O1	REAL300000108032	1	52	0.0	-101.01	405.71	6.17	-94.84
COC1=CC=C(C)C(C=NNC(=O)C2C[N@H+](C)CC(C)O2)=C1C(=O)[O-]	REAL300000108033	1	48	0.0	-75.34	371.91	7.47	-67.87
COC1=CC=C(C)C(C=NNC(=O)C2C[N@@H+](C)CC(C)O2)=C1C(=O)[O-]	REAL300000108033	1	48	0.0	-73.65	372.39	7.88	-65.77
CC1C[N@H+](C)CC(C(=O)NN=CC2=C(C(=O)[O-])N(C)C3=CC=C(F)C=C32)O1	REAL300000108034	1	48	0.0	-68.90	387.11	8.54	-60.36
CC1C[N@@H+](C)CC(C(=O)NN=CC2=C(C(=O)[O-])N(C)C3=CC=C(F)C=C32)O1	REAL300000108034	1	48	0.0	-69.08	386.92	8.53	-60.55
CC(=NNC(=O)C1C[N@@H+](C)CC(C)O1)C1=C(C(=O)[O-])C2=CC=CC=C2S1	REAL300000108035	1	47	0.0	-89.67	384.65	8.48	-81.19
CC(=NNC(=O)C1C[N@H+](C)CC(C)O1)C1=C(C(=O)[O-])C2=CC=CC=C2S1	REAL300000108035	1	47	0.0	-89.08	391.91	8.91	-80.17
CC1C[N@H+](C)CC(C(=O)NN=CC2=CC=C(CCC(=O)[O-])O2)O1	REAL300000108036	1	44	0.0	-92.86	361.18	6.86	-86.00
CC1C[N@@H+](C)CC(C(=O)NN=CC2=CC=C(CCC(=O)[O-])O2)O1	REAL300000108036	1	44	0.0	-92.42	361.19	6.86	-85.56
CC1C[N@H+](C)CC(C(=O)NN=CC2=C(C(=O)[O-])C=C(Br)S2)O1	REAL300000108037	1	38	0.0	-68.29	344.25	6.72	-61.57
CC1C[N@@H+](C)CC(C(=O)NN=CC2=C(C(=O)[O-])C=C(Br)S2)O1	REAL300000108037	1	38	0.0	-68.33	344.29	6.72	-61.61
CC1C[N@H+](C)CC(C(=O)NN=CC2=CNC3=C(C(=O)[O-])C=CC=C23)O1	REAL300000108038	1	45	0.0	-92.68	363.64	7.31	-85.37
CC1C[N@@H+](C)CC(C(=O)NN=CC2=CNC3=C(C(=O)[O-])C=CC=C23)O1	REAL300000108038	1	45	0.0	-94.25	370.42	7.33	-86.92
CC(=NNC(=O)C1C[N@@H+](C)CC(C)O1)C1=C(C(=O)[O-])C2=CC=CC=C2N=C1	REAL300000108039	1	49	0.0	-104.37	386.45	7.89	-96.48
CC(=NNC(=O)C1C[N@H+](C)CC(C)O1)C1=C(C(=O)[O-])C2=CC=CC=C2N=C1	REAL300000108039	1	49	0.0	-103.64	386.49	7.89	-95.75
CC1C[N@H+](C)CC(C(=O)NN=CC2=CC=C3OC(C(=O)[O-])=CC3=C2)O1	REAL300000108040	1	44	0.0	-92.02	364.63	7.85	-84.17
CC1C[N@@H+](C)CC(C(=O)NN=CC2=CC=C3OC(C(=O)[O-])=CC3=C2)O1	REAL300000108040	1	44	0.0	-91.96	364.65	7.86	-84.10
CC1C[N@H+](C)CC(C(=O)NN=CC2=CC=CN3C(C(=O)[O-])=CN=C23)O1	REAL300000108041	1	44	0.0	-85.03	360.21	7.42	-77.61
CC1C[N@@H+](C)CC(C(=O)NN=CC2=CC=CN3C(C(=O)[O-])=CN=C23)O1	REAL300000108041	1	44	0.0	-85.04	360.22	7.42	-77.62
CC1C[N@H+](C)CC(C(=O)NN=CC2=CC=CC(F)=C2C(=O)[O-])O1	REAL300000108042	1	41	0.0	-72.27	334.09	6.92	-65.35
CC1C[N@@H+](C)CC(C(=O)NN=CC2=CC=CC(F)=C2C(=O)[O-])O1	REAL300000108042	1	41	0.0	-73.99	340.85	6.93	-67.06
CC1C[N@H+](C)CC(C(=O)NN=CC2=CC=CC(Br)=C2C(=O)[O-])O1	REAL300000108043	1	41	0.0	-67.18	345.81	7.37	-59.81
CC1C[N@@H+](C)CC(C(=O)NN=CC2=CC=CC(Br)=C2C(=O)[O-])O1	REAL300000108043	1	41	0.0	-68.84	352.56	7.39	-61.45
CC1C[N@H+](C)CC(C(=O)NN=CC2=C(C(=O)[O-])C=CC3=C2OCO3)O1	REAL300000108044	1	44	0.0	-91.27	359.36	6.06	-85.21
CC1C[N@@H+](C)CC(C(=O)NN=CC2=C(C(=O)[O-])C=CC3=C2OCO3)O1	REAL300000108044	1	44	0.0	-68.82	354.79	5.67	-63.15
CC1C[N@H+](C)CC(C(=O)NN=CC2=CC(C#N)=CC=C2C(=O)[O-])O1	REAL300000108045	1	42	0.0	-64.68	350.29	7.25	-57.43
CC1C[N@@H+](C)CC(C(=O)NN=CC2=CC(C#N)=CC=C2C(=O)[O-])O1	REAL300000108045	1	42	0.0	-65.02	350.33	7.25	-57.77
CC1C[N@H+](C)CC(C(=O)NN=CC2=CC=C(OCC(=O)[O-])C(Cl)=C2)O1	REAL300000108046	1	45	0.0	-93.31	382.39	7.93	-85.38
CC1C[N@@H+](C)CC(C(=O)NN=CC2=CC=C(OCC(=O)[O-])C(Cl)=C2)O1	REAL300000108046	1	45	0.0	-90.35	382.41	7.94	-82.41
CC1C[N@H+](C)CC(C(=O)NN=CC2=CC=C(S(=O)(=O)NCC(=O)[O-])C=C2)O1	REAL300000108047	1	49	0.0	-91.36	411.55	3.62	-87.74
CC1C[N@@H+](C)CC(C(=O)NN=CC2=CC=C(S(=O)(=O)NCC(=O)[O-])C=C2)O1	REAL300000108047	1	49	0.0	-83.52	411.19	3.45	-80.07
CC1=NSC(C=NNC(=O)C2C[N@@H+](C)CC(C)O2)=C1C(=O)[O-]	REAL300000108048	1	40	0.0	-67.46	334.23	5.21	-62.25
CC1=NSC(C=NNC(=O)C2C[N@H+](C)CC(C)O2)=C1C(=O)[O-]	REAL300000108048	1	40	0.0	-68.94	341.01	5.22	-63.72
CC1C[N@H+](C)CC(C(=O)NN=CC2=C3C=C(C(=O)[O-])SC3=CC=C2F)O1	REAL300000108049	1	44	0.0	-80.34	375.19	8.29	-72.05
CC1C[N@@H+](C)CC(C(=O)NN=CC2=C3C=C(C(=O)[O-])SC3=CC=C2F)O1	REAL300000108049	1	44	0.0	-78.55	375.72	8.68	-69.87
COC1=CC(C(=O)[O-])=CC=C1C=NNC(=O)C1C[N@H+](C)CC(C)O1	REAL300000108050	1	45	0.0	-92.26	362.39	6.75	-85.51
COC1=CC(C(=O)[O-])=CC=C1C=NNC(=O)C1C[N@@H+](C)CC(C)O1	REAL300000108050	1	45	0.0	-92.25	362.38	6.75	-85.50
CC1C[N@H+](C)CC(C(=O)NN=CC2=NN([C@H]3C[C@H](C(=O)[O-])C3)C=C2)O1	REAL300000108051	1	48	0.0	-92.31	382.77	6.23	-86.08
CC1C[N@@H+](C)CC(C(=O)NN=CC2=NN([C@H]3C[C@H](C(=O)[O-])C3)C=C2)O1	REAL300000108051	1	48	0.0	-92.34	382.35	6.22	-86.12
CC1=CC(NN=CC2=CC(Br)=CC=C2OCC(=O)[O-])=CC=[NH+]1	REAL300000108874	0	36	0.0	-54.60	333.79	8.50	-46.10
CC1=CC(NN=CC2=CC=CC(OCC3=CC=CC=C3C(=O)[O-])=C2)=CC=[NH+]1	REAL300000108875	0	46	0.0	-68.50	386.54	10.85	-57.65
CC1=CC(NN=CC2=CC=C(OCC(=O)[O-])C([N+](=O)[O-])=C2)=CC=[NH+]1	REAL300000108876	0	38	0.0	-77.67	339.47	9.04	-68.63
CC1=C(C(=O)[O-])OC(COC2=CC=C(C=NNC3=CC=[NH+]C(C)=C3)C=C2)=C1	REAL300000108877	0	46	0.0	-72.31	394.49	9.94	-62.37
CC1=CC(NN=CC2=CC=CC(OCC3=CC=CC(C(=O)[O-])=C3)=C2)=CC=[NH+]1	REAL300000108878	0	46	0.0	-71.78	393.74	10.87	-60.91
COC1=CC=C(C=NNC2=CC=[NH+]C(C)=C2)C(OCC(=O)[O-])=C1	REAL300000108879	0	40	0.0	-59.72	341.93	7.21	-52.51
CC1=CC(NN=CC2=CC=C(OC(F)(F)C(=O)[O-])C=C2)=CC=[NH+]1	REAL300000108880	0	36	0.0	-61.63	322.76	8.05	-53.58
CC1=CC(NN=CC2=C(Br)C=C(C(=O)[O-])N2C)=CC=[NH+]1	REAL300000108881	0	33	0.0	-63.66	301.06	7.37	-56.29
CC1=CC(NN=CC2=CC=C(OCC(=O)[O-])C(Br)=C2)=CC=[NH+]1	REAL300000108882	0	36	0.0	-66.54	333.89	8.51	-58.03
COC1=C2OC(C(=O)[O-])=CC2=C(C=NNC2=CC=[NH+]C(C)=C2)C=C1	REAL300000108883	0	39	0.0	-65.61	334.24	7.55	-58.06
COC1=CC(C=NNC2=CC=[NH+]C(C)=C2)=C([N+](=O)[O-])C=C1OCC(=O)[O-]	REAL300000108884	0	42	0.0	-70.49	365.08	8.01	-62.48
CC1=CC(NN=CC2=CC(C(F)(F)F)=CC=C2N(C)CC(=O)[O-])=CC=[NH+]1	REAL300000108885	0	43	0.0	-53.06	374.40	8.94	-44.12
COC1=CC(C=NNC2=CC=[NH+]C(C)=C2)=CC=C1OCCC(=O)[O-]	REAL300000108886	0	43	0.0	-64.98	363.65	7.91	-57.07
CC1=CC(NN=CC2=CN(CC(=O)[O-])C3=CC=CC=C23)=CC=[NH+]1	REAL300000108887	0	39	0.0	-62.17	335.55	9.83	-52.34
CC(=NNC1=CC=[NH+]C(C)=C1)C1=CC=CC(OCCCC(=O)[O-])=C1	REAL300000108888	0	45	0.0	-63.01	369.80	9.31	-53.70
CC(=NNC1=CC=[NH+]C(C)=C1)C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000108891	0	42	0.0	-62.88	345.20	9.02	-53.86
CCC(=NNC1=CC=[NH+]C(C)=C1)C1=CC=C(OCCCCC(=O)[O-])C=C1	REAL300000108893	0	51	0.0	-63.82	412.59	10.83	-52.99
COC1=CC(C(C)=NNC2=CC=[NH+]C(C)=C2)=CC=C1OCCCC(=O)[O-]	REAL300000108894	0	49	0.0	-70.54	398.98	9.22	-61.32
CC(=NNC1=CC=[NH+]C(C)=C1)C1=CC(Br)=CC=C1OCC(=O)[O-]	REAL300000108895	0	39	0.0	-53.07	352.91	9.05	-44.02
CC(=NNC1=CC=[NH+]C(C)=C1)C1=C(CC(=O)[O-])C2=CC=C(C)C=C2O1	REAL300000108896	0	44	0.0	-55.36	365.33	10.24	-45.12
CC1=CC(NN=CC2=CC=CC(OC(C(=O)[O-])C3=CC=CC=C3)=C2)=CC=[NH+]1	REAL300000108897	0	46	0.0	-67.97	391.24	11.53	-56.44
COC1=CC(C=NNC2=CC=[NH+]C(C)=C2)=CC(Cl)=C1OC(C)C(=O)[O-]	REAL300000108898	0	43	0.0	-73.79	379.08	9.07	-64.72
CC1=CC(NN=CC2=CC=C(C3=CC=C(O)C(C(=O)[O-])=C3)O2)=CC=[NH+]1	REAL300000108899	0	40	0.0	-70.19	352.38	7.39	-62.80
CC1=CC(NN=CC2=CC=C(C3=CC=CC(C(=O)[O-])=C3)S2)=CC=[NH+]1	REAL300000108900	0	39	0.0	-69.79	350.98	10.30	-59.49
CC1=CC(NN=CC2=CSC3=CC=C(C(=O)[O-])C=C23)=CC=[NH+]1	REAL300000108901	0	35	0.0	-54.20	312.26	8.91	-45.29
CC1=CC(NN=CC2=CC(C(=O)[O-])=CC=C2Br)=CC=[NH+]1	REAL300000108902	0	32	0.0	-60.19	292.49	8.22	-51.97
CC1=CC(NN=CC2=CC(C(=O)[O-])=CC(Br)=C2O)=CC=[NH+]1	REAL300000108903	0	33	0.0	-61.40	311.46	5.78	-55.62
COC1=CC(Br)=CC(C=NNC2=CC=[NH+]C(C)=C2)=C1OCC(=O)[O-]	REAL300000108904	0	40	0.0	-60.64	366.92	8.37	-52.27
CC1=CC(NN=CC2=CC=C(OCC3=CC=C(C(=O)[O-])O3)C=C2)=CC=[NH+]1	REAL300000108905	0	43	0.0	-71.50	376.52	9.35	-62.15
CC1=CC(NN=CC2=CC(I)=CC(C(=O)[O-])=C2)=CC=[NH+]1	REAL300000108906	0	32	0.0	-61.36	310.23	8.67	-52.69
CC1=CC(NN=CC2=C(O)C(C(=O)[O-])=CC3=CC=CC=C32)=CC=[NH+]1	REAL300000108907	0	39	0.0	-64.26	331.81	8.06	-56.20
CC1=CC(NN=CC2=CC=C(C3=CC=CC(CC(=O)[O-])=C3)C=C2)=CC=[NH+]1	REAL300000108908	0	45	0.0	-67.36	378.75	11.78	-55.58
CCOC1=CC(C=NNC2=CC=[NH+]C(C)=C2)=CC=C1OCC(=O)[O-]	REAL300000108909	0	43	0.0	-71.85	364.56	8.55	-63.30
CC1=CC(NN=CC2=CC=CC=C2OCC2=CC=C(C(=O)[O-])O2)=CC=[NH+]1	REAL300000108910	0	43	0.0	-47.11	367.91	9.44	-37.67
CC1=CC(NN=CC2=CC=C(OCC(=O)[O-])C(Cl)=C2)=CC=[NH+]1	REAL300000108911	0	36	0.0	-67.07	329.50	8.40	-58.67
CC1=CC(NN=CC2=CC=C(S(=O)(=O)NCC(=O)[O-])C=C2)=CC=[NH+]1	REAL300000108912	0	40	0.0	-65.98	358.68	4.09	-61.89
CC1=CC(NN=CC2=C3C=C(C(=O)[O-])SC3=CC=C2F)=CC=[NH+]1	REAL300000108913	0	35	0.0	-61.69	322.80	9.16	-52.53
CC1C[N@H+](CC2=CC=CC=C2)CC(C(=O)NN=CC2=CC=C(C(=O)[O-])C=C2)O1	REAL300000109044	1	51	0.0	-85.63	411.47	10.52	-75.11
CC1C[N@@H+](CC2=CC=CC=C2)CC(C(=O)NN=CC2=CC=C(C(=O)[O-])C=C2)O1	REAL300000109044	1	51	0.0	-92.27	411.91	10.66	-81.61
CC1C[N@H+](CC2=CC=CC=C2)CC(C(=O)NN=CC2=CC=CC=C2C(=O)[O-])O1	REAL300000109045	1	51	0.0	-74.21	413.05	10.47	-63.74
CC1C[N@@H+](CC2=CC=CC=C2)CC(C(=O)NN=CC2=CC=CC=C2C(=O)[O-])O1	REAL300000109045	1	51	0.0	-73.23	406.35	10.45	-62.78
CC(=NNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC(C)O1)C1=CC=C(C(=O)[O-])C=C1	REAL300000109046	1	54	0.0	-93.10	432.37	11.25	-81.85
CC(=NNC(=O)C1C[N@H+](CC2=CC=CC=C2)CC(C)O1)C1=CC=C(C(=O)[O-])C=C1	REAL300000109046	1	54	0.0	-79.70	412.48	10.61	-69.09
CC1C[N@H+](CC2=CC=CC=C2)CC(C(=O)NN=CC2=CC=C(C(=O)[O-])N2)O1	REAL300000109047	1	49	0.0	-87.80	405.82	8.31	-79.49
CC1C[N@@H+](CC2=CC=CC=C2)CC(C(=O)NN=CC2=CC=C(C(=O)[O-])N2)O1	REAL300000109047	1	49	0.0	-82.18	384.22	8.13	-74.05
CC(=NNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC(C)O1)C1=CC=CC=C1C(=O)[O-]	REAL300000109048	1	54	0.0	-80.32	429.83	10.98	-69.34
CC(=NNC(=O)C1C[N@H+](CC2=CC=CC=C2)CC(C)O1)C1=CC=CC=C1C(=O)[O-]	REAL300000109048	1	54	0.0	-79.65	423.30	10.96	-68.69
CC(=NNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC(C)O1)C1=CC=CC(C(=O)[O-])=C1	REAL300000109049	1	54	0.0	-84.42	412.24	10.62	-73.80
CC(=NNC(=O)C1C[N@H+](CC2=CC=CC=C2)CC(C)O1)C1=CC=CC(C(=O)[O-])=C1	REAL300000109049	1	54	0.0	-84.32	412.74	10.62	-73.70
CC1C[N@H+](CC2=CC=CC=C2)CC(C(=O)NN=CC2=CN(CC(=O)[O-])N=N2)O1	REAL300000109050	1	50	0.0	-95.77	416.63	7.47	-88.30
CC1C[N@@H+](CC2=CC=CC=C2)CC(C(=O)NN=CC2=CN(CC(=O)[O-])N=N2)O1	REAL300000109050	1	50	0.0	-89.01	394.99	7.28	-81.73
CC1C[N@H+](CC2=CC=CC=C2)CC(C(=O)NN=CC2=CC(C(=O)[O-])=CS2)O1	REAL300000109051	1	48	0.0	-87.02	410.48	9.74	-77.28
CC1C[N@@H+](CC2=CC=CC=C2)CC(C(=O)NN=CC2=CC(C(=O)[O-])=CS2)O1	REAL300000109051	1	48	0.0	-85.67	403.81	9.72	-75.95
CC1C[N@H+](CC2=CC=CC=C2)CC(C(=O)NN=CC2=CC=C(O)C(C(=O)[O-])=C2)O1	REAL300000109052	1	52	0.0	-80.41	420.49	8.60	-71.81
CC1C[N@@H+](CC2=CC=CC=C2)CC(C(=O)NN=CC2=CC=C(O)C(C(=O)[O-])=C2)O1	REAL300000109052	1	52	0.0	-81.52	406.00	8.59	-72.93
CC(=NNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC(C)O1)C1=CC=C(C(=O)[O-])O1	REAL300000109053	1	51	0.0	-80.70	411.77	9.75	-70.95
CC(=NNC(=O)C1C[N@H+](CC2=CC=CC=C2)CC(C)O1)C1=CC=C(C(=O)[O-])O1	REAL300000109053	1	51	0.0	-85.68	412.20	9.88	-75.80
CC1=C(C(=O)[O-])C=C(C=NNC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC(C)O2)N1	REAL300000109054	1	52	0.0	-100.46	424.06	8.96	-91.50
CC1=C(C(=O)[O-])C=C(C=NNC(=O)C2C[N@H+](CC3=CC=CC=C3)CC(C)O2)N1	REAL300000109054	1	52	0.0	-94.01	402.46	8.76	-85.25
CC1C[N@H+](CC2=CC=CC=C2)CC(C(=O)NN=C2CC(C(=O)[O-])C2)O1	REAL300000109055	1	48	0.0	-76.95	380.30	9.03	-67.92
CC1C[N@@H+](CC2=CC=CC=C2)CC(C(=O)NN=C2CC(C(=O)[O-])C2)O1	REAL300000109055	1	48	0.0	-71.51	379.99	8.92	-62.59
CC1C[N@H+](CC2=CC=CC=C2)CC(C(=O)NN=CC2=CC=CC(C(=O)[O-])=C2)O1	REAL300000109056	1	51	0.0	-79.12	411.70	10.54	-68.58
CC1C[N@@H+](CC2=CC=CC=C2)CC(C(=O)NN=CC2=CC=CC(C(=O)[O-])=C2)O1	REAL300000109056	1	51	0.0	-84.15	412.14	10.68	-73.47
CC1C(=NNC(=O)C2C[N@H+](CC3=CC=CC=C3)CC(C)O2)CCC1CC(=O)[O-]	REAL300000109057	1	57	0.0	-73.86	434.54	10.64	-63.22
CC1C(=NNC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC(C)O2)CCC1CC(=O)[O-]	REAL300000109057	1	57	0.0	-79.64	435.22	10.79	-68.85
CC1C[N@H+](CC2=CC=CC=C2)CC(C(=O)NN=C2CCC(C(=O)[O-])CC2C)O1	REAL300000109058	1	57	0.0	-72.96	418.29	10.29	-62.67
CC1C[N@@H+](CC2=CC=CC=C2)CC(C(=O)NN=C2CCC(C(=O)[O-])CC2C)O1	REAL300000109058	1	57	0.0	-75.55	430.59	10.77	-64.78
CC1C[N@H+](CC2=CC=CC=C2)CC(C(=O)NN=C2CCC(C(=O)[O-])C(C)C2)O1	REAL300000109059	1	57	0.0	-80.28	423.51	10.43	-69.85
CC1C[N@@H+](CC2=CC=CC=C2)CC(C(=O)NN=C2CCC(C(=O)[O-])C(C)C2)O1	REAL300000109059	1	57	0.0	-70.20	416.37	10.05	-60.15
CC1C[N@H+](CC2=CC=CC=C2)CC(C(=O)NN=CC2=CNC(C(=O)[O-])=C2)O1	REAL300000109060	1	49	0.0	-84.42	406.45	8.48	-75.94
CC1C[N@@H+](CC2=CC=CC=C2)CC(C(=O)NN=CC2=CNC(C(=O)[O-])=C2)O1	REAL300000109060	1	49	0.0	-83.11	399.77	8.46	-74.65
CC(CC1(C(=O)[O-])CCC1)=NNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC(C)O1	REAL300000109061	1	57	0.0	-83.00	435.20	10.66	-72.34
CC(CC1(C(=O)[O-])CCC1)=NNC(=O)C1C[N@H+](CC2=CC=CC=C2)CC(C)O1	REAL300000109061	1	57	0.0	-82.67	432.10	10.96	-71.71
CC1C[N@H+](CC2=CC=CC=C2)CC(C(=O)NN=CC2=C(C(=O)[O-])C=NN2C)O1	REAL300000109062	1	51	0.0	-94.99	413.51	8.86	-86.13
CC1C[N@@H+](CC2=CC=CC=C2)CC(C(=O)NN=CC2=C(C(=O)[O-])C=NN2C)O1	REAL300000109062	1	51	0.0	-87.12	391.91	8.68	-78.44
CC1C[N@H+](CC2=CC=CC=C2)CC(C(=O)NN=CC2=CC=C(C(=O)[O-])C(F)=C2)O1	REAL300000109063	1	51	0.0	-89.70	416.09	10.58	-79.12
CC1C[N@@H+](CC2=CC=CC=C2)CC(C(=O)NN=CC2=CC=C(C(=O)[O-])C(F)=C2)O1	REAL300000109063	1	51	0.0	-89.65	401.59	10.56	-79.09
CC1C[N@H+](CC2=CC=CC=C2)CC(C(=O)NN=CC2=CC=C(C=CC(=O)[O-])O2)O1	REAL300000109064	1	52	0.0	-103.51	437.11	8.65	-94.86
CC1C[N@@H+](CC2=CC=CC=C2)CC(C(=O)NN=CC2=CC=C(C=CC(=O)[O-])O2)O1	REAL300000109064	1	52	0.0	-97.13	415.56	8.47	-88.66
CC(=NNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC(C)O1)C1=CN=CC(C(=O)[O-])=C1	REAL300000109065	1	53	0.0	-79.04	407.41	8.83	-70.21
CC(=NNC(=O)C1C[N@H+](CC2=CC=CC=C2)CC(C)O1)C1=CN=CC(C(=O)[O-])=C1	REAL300000109065	1	53	0.0	-78.94	407.91	8.83	-70.11
CC1C[N@H+](CC2=CC=CC=C2)CC(C(=O)NN=CC2=CC=C(C(=O)[O-])N=C2)O1	REAL300000109066	1	50	0.0	-89.42	407.39	8.78	-80.64
CC1C[N@@H+](CC2=CC=CC=C2)CC(C(=O)NN=CC2=CC=C(C(=O)[O-])N=C2)O1	REAL300000109066	1	50	0.0	-96.27	407.83	8.91	-87.36
CC1C[N@H+](CC2=CC=CC=C2)CC(C(=O)NN=CC2=CC=C(C(=O)[O-])C(O)=C2)O1	REAL300000109067	1	52	0.0	-87.13	420.36	8.60	-78.53
CC1C[N@@H+](CC2=CC=CC=C2)CC(C(=O)NN=CC2=CC=C(C(=O)[O-])C(O)=C2)O1	REAL300000109067	1	52	0.0	-93.64	420.79	8.73	-84.91
CC1=CC=C(C=NNC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC(C)O2)C=C1C(=O)[O-]	REAL300000109068	1	54	0.0	-79.82	431.74	11.18	-68.64
CC1=CC=C(C=NNC(=O)C2C[N@H+](CC3=CC=CC=C3)CC(C)O2)C=C1C(=O)[O-]	REAL300000109068	1	54	0.0	-80.88	416.55	11.16	-69.72
CC1C[N@H+](CC2=CC=CC=C2)CC(C(=O)NN=CC2=CC(C(=O)[O-])=NN2C)O1	REAL300000109069	1	51	0.0	-103.35	421.93	8.33	-95.02
CC1C[N@@H+](CC2=CC=CC=C2)CC(C(=O)NN=CC2=CC(C(=O)[O-])=NN2C)O1	REAL300000109069	1	51	0.0	-101.66	415.26	8.30	-93.36
CC1C[N@H+](CC2=CC=CC=C2)CC(C(=O)NN=CC2=CC(C(=O)[O-])=CN2C)O1	REAL300000109070	1	52	0.0	-102.98	426.80	10.12	-92.86
CC1C[N@@H+](CC2=CC=CC=C2)CC(C(=O)NN=CC2=CC(C(=O)[O-])=CN2C)O1	REAL300000109070	1	52	0.0	-96.25	405.17	9.94	-86.31
CC1=C(C(=O)[O-])C=C(C=NNC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC(C)O2)O1	REAL300000109071	1	51	0.0	-88.52	422.13	9.57	-78.95
CC1=C(C(=O)[O-])C=C(C=NNC(=O)C2C[N@H+](CC3=CC=CC=C3)CC(C)O2)O1	REAL300000109071	1	51	0.0	-82.51	398.92	9.32	-73.19
CC1C[N@H+](CC2=CC=CC=C2)CC(C(=O)NN=CC2=CC(C(=O)[O-])=CO2)O1	REAL300000109072	1	48	0.0	-81.21	395.44	8.62	-72.59
CC1C[N@@H+](CC2=CC=CC=C2)CC(C(=O)NN=CC2=CC(C(=O)[O-])=CO2)O1	REAL300000109072	1	48	0.0	-82.69	380.96	8.60	-74.09
CC1=CC=C(C=NNC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC(C)O2)C(C(=O)[O-])=C1	REAL300000109073	1	54	0.0	-99.38	438.16	11.66	-87.72
CC1=CC=C(C=NNC(=O)C2C[N@H+](CC3=CC=CC=C3)CC(C)O2)C(C(=O)[O-])=C1	REAL300000109073	1	54	0.0	-68.12	410.20	10.89	-57.23
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CC1=C(C(=O)[O-])NC(C=NNC(=O)C2C[N@H+](CC3=CC=CC=C3)CC(C)O2)=C1	REAL300000109074	1	52	0.0	-87.64	402.26	8.68	-78.96
CC1C[N@H+](CC2=CC=CC=C2)CC(C(=O)NN=CC2=C(C(=O)[O-])C=CS2)O1	REAL300000109075	1	48	0.0	-75.41	406.09	9.58	-65.83
CC1C[N@@H+](CC2=CC=CC=C2)CC(C(=O)NN=CC2=C(C(=O)[O-])C=CS2)O1	REAL300000109075	1	48	0.0	-74.33	399.41	9.56	-64.77
CC1C[N@H+](CC2=CC=CC=C2)CC(C(=O)NN=CC2=CSC(C(=O)[O-])=C2)O1	REAL300000109076	1	48	0.0	-77.79	403.49	9.61	-68.18
CC1C[N@@H+](CC2=CC=CC=C2)CC(C(=O)NN=CC2=CSC(C(=O)[O-])=C2)O1	REAL300000109076	1	48	0.0	-83.32	403.93	9.75	-73.57
CC1C[N@H+](CC2=CC=CC=C2)CC(C(=O)NN=CC2=CC=C(CCC(=O)[O-])O2)O1	REAL300000109077	1	54	0.0	-92.66	444.64	10.45	-82.21
CC1C[N@@H+](CC2=CC=CC=C2)CC(C(=O)NN=CC2=CC=C(CCC(=O)[O-])O2)O1	REAL300000109077	1	54	0.0	-86.35	423.04	10.26	-76.09
CC1C[N@H+](CC2=CC=CC=C2)CC(C(=O)NN=CC2=CC=CC(F)=C2C(=O)[O-])O1	REAL300000109078	1	51	0.0	-77.15	417.52	10.51	-66.64
CC1C[N@@H+](CC2=CC=CC=C2)CC(C(=O)NN=CC2=CC=CC(F)=C2C(=O)[O-])O1	REAL300000109078	1	51	0.0	-90.88	415.63	10.88	-80.00
CC[NH+](CC)CC1=CC(C(C)=NNC(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1O	REAL300000110611	0	53	0.0	-77.92	417.09	8.34	-69.58
CC(=NNC(=O)C1=CC=CC(C(=O)[O-])=C1)C1=CC=C(O)C(C[NH+]2CCCCC2)=C1	REAL300000110613	0	54	0.0	-78.14	427.31	9.17	-68.97
COC1=CC=C(C(C)=NNC(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1C[NH+]1CCCC1	REAL300000110839	0	54	0.0	-75.63	430.21	10.48	-65.15
COC1=[NH+]C(N)=NC(N2CCCC2)=C1C=NNC(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000110958	1	48	0.0	-77.03	398.46	6.52	-70.51
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CC[N@@H+]1CCCC1CN1C(C)=CC(C=NNC(=O)C2=CC=CC(C(=O)[O-])=C2)=C1C	REAL300000111133	0	57	0.0	-87.36	438.60	11.61	-75.75
CC[N@H+]1CCCC1CN1C(C)=CC(C=NNC(=O)C2=CC=CC(C(=O)[O-])=C2)=C1C	REAL300000111133	1	57	0.0	-87.36	438.60	11.61	-75.75
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CC1=CC(C=NNC(=O)C2=CC=CC(C(=O)[O-])=C2)=C(C)N1CCN1CCOCC1	REAL300000111161	0	55	0.0	-91.15	439.32	9.91	-81.24
CC1=CC(C=NNC(=O)C2=CC=CC(C(=O)[O-])=C2)=C(C)N1CC[NH+]1CCOCC1	REAL300000111161	1	55	0.0	-91.15	439.32	9.91	-81.24
O=C([O-])C1=CC=CC(C(=O)NN=C2CC[NH+](CCC3=CC=C(F)C=C3)CC2)=C1	REAL300000111164	0	50	0.0	-105.21	403.51	11.08	-94.13
C[NH+](C)CCOC1=CC=C(C=NNC(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000111193	0	47	0.0	-88.77	391.50	9.17	-79.60
O=C([O-])C1=CC=CC(C(=O)NN=C2CCN(CC3=CC=CC=N3)CC2)=C1	REAL300000111208	0	46	0.0	-93.53	373.26	8.59	-84.94
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CN(C1=CC=CC=C1C=NNC(=O)C1=CC=CC(C(=O)[O-])=C1)C1CC[NH+](C)CC1	REAL300000111212	0	55	0.0	-69.11	431.68	11.23	-57.88
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CC(=NNC(=O)C1=CC=CC(C(=O)[O-])=C1)C1=CC=CC(OCC[NH+](C)C)=C1	REAL300000111304	0	50	0.0	-84.52	405.36	9.73	-74.79
CC(=NNC(=O)C1=CC=CC(C(=O)[O-])=C1)C1=CC=C(O)C(CN2CCOCC2)=C1	REAL300000111306	0	52	0.0	-83.51	417.64	6.86	-76.65
CC(=NNC(=O)C1=CC=CC(C(=O)[O-])=C1)C1=CC=C(O)C(C[NH+]2CCOCC2)=C1	REAL300000111306	1	52	0.0	-83.51	417.64	6.86	-76.65
CC(=NNC(=O)C1=CC=CC(C(=O)[O-])=C1)C1=CC=C(OCC[NH+](C)C)C=C1	REAL300000111341	0	50	0.0	-89.41	405.30	9.75	-79.66
CC(C)(C)[NH+]1CCC(=NNC(=O)C2=CC=CC(C(=O)[O-])=C2)CC1	REAL300000111358	0	46	0.0	-89.94	348.64	8.24	-81.70
CC1CC(=NNC(=O)C2=CC=CC(C(=O)[O-])=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300000111528	0	50	0.0	-94.35	389.56	10.60	-83.75
CC1CC(=NNC(=O)C2=CC=CC(C(=O)[O-])=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300000111528	1	50	0.0	-94.35	389.56	10.60	-83.75
CC1CCCCC1[NH+]1CCC(=NNC(=O)C2=CC=CC(C(=O)[O-])=C2)CC1	REAL300000111541	0	53	0.0	-92.60	391.80	10.30	-82.30
CC1CCCC([NH+]2CCC(=NNC(=O)C3=CC=CC(C(=O)[O-])=C3)CC2)C1	REAL300000111556	0	53	0.0	-93.71	397.90	10.49	-83.22
CC1C[N@H+](CC2=CC=CC=N2)CCC1=NNC(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300000111578	0	49	0.0	-93.15	390.25	9.63	-83.52
CCOCCC[N@@H+]1CCC(=NNC(=O)C2=CC=CC(C(=O)[O-])=C2)C(C)C1	REAL300000111596	0	53	0.0	-97.52	415.79	9.00	-88.52
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CC(C)(C)[N@@H+]1CCC1C(=O)NN=CC1=CC=C(OCC(=O)[O-])C=C1	REAL300000115486	0	47	0.0	-75.91	361.68	6.90	-69.01
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CC(=NNC(=O)C1CC[N@@H+]1C(C)(C)C)C1=CC=CC(OCC(=O)[O-])=C1	REAL300000115487	1	50	0.0	-80.65	373.44	8.00	-72.65
CC(=NNC(=O)C1CC[N@H+]1C(C)(C)C)C1=CC=CC(OCC(=O)[O-])=C1	REAL300000115487	1	50	0.0	-81.25	372.30	8.29	-72.96
CC(C)(C)[N@@H+]1CCC1C(=O)NN=CC1=CC=CC=C1C(=O)[O-]	REAL300000115488	1	43	0.0	-60.32	321.96	7.18	-53.14
CC(C)(C)[N@H+]1CCC1C(=O)NN=CC1=CC=CC=C1C(=O)[O-]	REAL300000115488	1	43	0.0	-58.78	339.36	7.41	-51.37
CC(=NNC(=O)C1CC[N@@H+]1C(C)(C)C)C1=CC=C(C(=O)[O-])C=C1	REAL300000115489	1	46	0.0	-77.69	358.92	8.24	-69.45
CC(=NNC(=O)C1CC[N@H+]1C(C)(C)C)C1=CC=C(C(=O)[O-])C=C1	REAL300000115489	1	46	0.0	-77.97	359.07	8.23	-69.74
CC(=NNC(=O)C1CC[N@@H+]1C(C)(C)C)C1=CC=C(CC(=O)[O-])C=C1	REAL300000115490	1	49	0.0	-73.14	381.36	9.06	-64.08
CC(=NNC(=O)C1CC[N@H+]1C(C)(C)C)C1=CC=C(CC(=O)[O-])C=C1	REAL300000115490	1	49	0.0	-73.76	381.50	9.05	-64.71
CC1=C(C(=O)[O-])OC2=C1C(=NNC(=O)C1CC[N@@H+]1C(C)(C)C)CCC2	REAL300000115491	1	50	0.0	-83.57	365.79	7.99	-75.58
CC1=C(C(=O)[O-])OC2=C1C(=NNC(=O)C1CC[N@H+]1C(C)(C)C)CCC2	REAL300000115491	1	50	0.0	-81.88	381.72	8.54	-73.34
CC(C)(C)[N@@H+]1CCC1C(=O)NN=CC1=CC=C(OCCC(=O)[O-])C=C1	REAL300000115492	0	50	0.0	-75.68	379.41	7.84	-67.84
CC(C)(C)[N@H+]1CCC1C(=O)NN=CC1=CC=C(OCCC(=O)[O-])C=C1	REAL300000115492	1	50	0.0	-75.27	380.54	7.54	-67.73
CC(OC1=CC=CC(C=NNC(=O)C2CC[N@@H+]2C(C)(C)C)=C1)C(=O)[O-]	REAL300000115493	1	50	0.0	-71.53	394.07	8.55	-62.98
CC(OC1=CC=CC(C=NNC(=O)C2CC[N@H+]2C(C)(C)C)=C1)C(=O)[O-]	REAL300000115493	1	50	0.0	-72.09	378.66	8.00	-64.09
CC(C)(C)[N@@H+]1CCC1C(=O)NN=CC1=CC=CC(OCCC(=O)[O-])=C1	REAL300000115494	1	50	0.0	-70.67	397.53	8.09	-62.58
CC(C)(C)[N@H+]1CCC1C(=O)NN=CC1=CC=CC(OCCC(=O)[O-])=C1	REAL300000115494	1	50	0.0	-70.40	397.05	8.10	-62.30
CC(C)(C)[N@@H+]1CCC1C(=O)NN=CC1=CC=C(OCC(=O)[O-])C([N+](=O)[O-])=C1	REAL300000115495	1	49	0.0	-85.47	402.53	9.13	-76.34
CC(C)(C)[N@H+]1CCC1C(=O)NN=CC1=CC=C(OCC(=O)[O-])C([N+](=O)[O-])=C1	REAL300000115495	1	49	0.0	-87.11	385.57	8.58	-78.53
CC(C)(C)[N@@H+]1CCC1C(=O)NN=CC1=CC=CC(OCC(=O)[O-])=C1	REAL300000115496	1	47	0.0	-72.59	358.49	7.71	-64.88
CC(C)(C)[N@H+]1CCC1C(=O)NN=CC1=CC=CC(OCC(=O)[O-])=C1	REAL300000115496	1	47	0.0	-70.97	376.10	7.97	-63.00
CC(C)(C)[N@@H+]1CCC1C(=O)NN=CC1=CC=C(OCC2=C(C(=O)[O-])C=CO2)C=C1	REAL300000115497	0	54	0.0	-81.00	421.04	8.03	-72.97
CC(C)(C)[N@H+]1CCC1C(=O)NN=CC1=CC=C(OCC2=C(C(=O)[O-])C=CO2)C=C1	REAL300000115497	1	54	0.0	-82.05	418.96	8.55	-73.50
COC1=CC=C(C=NNC(=O)C2CC[N@@H+]2C(C)(C)C)C(OCC(=O)[O-])=C1	REAL300000115498	1	51	0.0	-72.46	399.23	8.17	-64.29
COC1=CC=C(C=NNC(=O)C2CC[N@H+]2C(C)(C)C)C(OCC(=O)[O-])=C1	REAL300000115498	1	51	0.0	-74.64	381.67	7.59	-67.05
CC(C)(C)[N@@H+]1CCC1C(=O)NN=CC1=CC=C(OC(F)(F)C(=O)[O-])C=C1	REAL300000115499	1	47	0.0	-75.09	367.73	7.88	-67.21
CC(C)(C)[N@H+]1CCC1C(=O)NN=CC1=CC=C(OC(F)(F)C(=O)[O-])C=C1	REAL300000115499	1	47	0.0	-75.16	368.92	6.95	-68.21
CN1C(C(=O)[O-])=CC(Br)=C1C=NNC(=O)C1CC[N@@H+]1C(C)(C)C	REAL300000115500	0	44	0.0	-73.56	366.72	7.55	-66.01
CN1C(C(=O)[O-])=CC(Br)=C1C=NNC(=O)C1CC[N@H+]1C(C)(C)C	REAL300000115500	1	44	0.0	-75.55	348.67	7.30	-68.25
COC1=C2OC(C(=O)[O-])=CC2=C(C=NNC(=O)C2CC[N@@H+]2C(C)(C)C)C=C1	REAL300000115501	1	50	0.0	-87.47	400.65	7.77	-79.70
COC1=C2OC(C(=O)[O-])=CC2=C(C=NNC(=O)C2CC[N@H+]2C(C)(C)C)C=C1	REAL300000115501	1	50	0.0	-87.88	401.15	7.77	-80.11
CCC(=NNC(=O)C1CC[N@@H+]1C(C)(C)C)C1=CC=C(C(=O)[O-])C=C1	REAL300000115502	1	49	0.0	-78.81	363.59	8.38	-70.43
CCC(=NNC(=O)C1CC[N@H+]1C(C)(C)C)C1=CC=C(C(=O)[O-])C=C1	REAL300000115502	1	49	0.0	-77.25	380.55	8.94	-68.31
CC(=NNC(=O)C1CC[N@@H+]1C(C)(C)C)C1=CC=CC=C1C(=O)[O-]	REAL300000115503	1	46	0.0	-63.46	355.93	7.91	-55.55
CC(=NNC(=O)C1CC[N@H+]1C(C)(C)C)C1=CC=CC=C1C(=O)[O-]	REAL300000115503	1	46	0.0	-64.05	356.47	7.95	-56.10
CC(=NNC(=O)C1CC[N@@H+]1C(C)(C)C)C1=CC(C(=O)[O-])=CC=C1O	REAL300000115504	1	47	0.0	-70.28	367.48	5.76	-64.52
CC(=NNC(=O)C1CC[N@H+]1C(C)(C)C)C1=CC(C(=O)[O-])=CC=C1O	REAL300000115504	1	47	0.0	-71.95	349.87	5.51	-66.44
CCC(=NNC(=O)C1CC[N@@H+]1C(C)(C)C)C1=CC(C(=O)[O-])=CC=C1F	REAL300000115505	1	49	0.0	-69.37	368.25	8.57	-60.80
CCC(=NNC(=O)C1CC[N@H+]1C(C)(C)C)C1=CC(C(=O)[O-])=CC=C1F	REAL300000115505	1	49	0.0	-68.16	385.19	9.13	-59.03
CC(C)(C)[N@@H+]1CCC1C(=O)NN=CC1=C2C=CC(C(=O)[O-])=CC2=NN1	REAL300000115506	1	46	0.0	-86.47	370.27	6.38	-80.09
CC(C)(C)[N@H+]1CCC1C(=O)NN=CC1=C2C=CC(C(=O)[O-])=CC2=NN1	REAL300000115506	1	46	0.0	-86.18	369.79	6.37	-79.81
CC(=NNC(=O)C1CC[N@@H+]1C(C)(C)C)C1=CC=CC(C(=O)[O-])=C1	REAL300000115507	1	46	0.0	-82.91	359.18	8.27	-74.64
CC(=NNC(=O)C1CC[N@H+]1C(C)(C)C)C1=CC=CC(C(=O)[O-])=C1	REAL300000115507	1	46	0.0	-85.46	341.24	8.01	-77.45
CC(C)(C)[N@@H+]1CCC1C(=O)NN=CC1=CN(CC(=O)[O-])N=N1	REAL300000115508	1	42	0.0	-81.26	325.24	4.18	-77.08
CC(C)(C)[N@H+]1CCC1C(=O)NN=CC1=CN(CC(=O)[O-])N=N1	REAL300000115508	1	42	0.0	-80.37	326.37	3.88	-76.49
CC(=NNC(=O)C1CC[N@@H+]1C(C)(C)C)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000115509	1	46	0.0	-81.32	363.21	8.29	-73.03
CC(=NNC(=O)C1CC[N@H+]1C(C)(C)C)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000115509	1	46	0.0	-81.76	345.59	8.02	-73.74
CC(C)(C)[N@@H+]1CCC1C(=O)NN=CC1=CC(C(=O)[O-])=CS1	REAL300000115510	1	40	0.0	-74.30	319.09	6.46	-67.84
CC(C)(C)[N@H+]1CCC1C(=O)NN=CC1=CC(C(=O)[O-])=CS1	REAL300000115510	1	40	0.0	-72.39	337.04	6.72	-65.67
COC1=CC(C=NNC(=O)C2CC[N@@H+]2C(C)(C)C)=CC=C1OCCC(=O)[O-]	REAL300000115511	1	54	0.0	-76.79	426.23	8.00	-68.79
COC1=CC(C=NNC(=O)C2CC[N@H+]2C(C)(C)C)=CC=C1OCCC(=O)[O-]	REAL300000115511	1	54	0.0	-78.89	408.62	7.75	-71.14
CC(C)(C)[N@@H+]1CCC1C(=O)NN=CC1=CC=C(C(=O)[O-])C=C1Cl	REAL300000115512	1	43	0.0	-78.35	340.19	8.08	-70.27
CC(C)(C)[N@H+]1CCC1C(=O)NN=CC1=CC=C(C(=O)[O-])C=C1Cl	REAL300000115512	1	43	0.0	-76.25	357.06	8.36	-67.89
CC(=NNC(=O)C1CC[N@@H+]1C(C)(C)C)C1=CC(C(=O)[O-])=C(C)N=C1C	REAL300000115513	1	51	0.0	-69.92	389.99	7.96	-61.96
CC(=NNC(=O)C1CC[N@H+]1C(C)(C)C)C1=CC(C(=O)[O-])=C(C)N=C1C	REAL300000115513	1	51	0.0	-68.62	369.33	7.33	-61.29
CC(C)(C)[N@@H+]1CCC1C(=O)NN=CC1=CC=C(O)C(C(=O)[O-])=C1	REAL300000115514	0	44	0.0	-72.63	354.31	5.74	-66.89
CC(C)(C)[N@H+]1CCC1C(=O)NN=CC1=CC=C(O)C(C(=O)[O-])=C1	REAL300000115514	1	44	0.0	-73.77	337.35	5.18	-68.59
CC(=NNC(=O)C1CC[N@@H+]1C(C)(C)C)C1=CC(C(=O)[O-])=CC=C1C	REAL300000115515	1	49	0.0	-79.04	379.41	8.65	-70.39
CC(=NNC(=O)C1CC[N@H+]1C(C)(C)C)C1=CC(C(=O)[O-])=CC=C1C	REAL300000115515	1	49	0.0	-79.59	365.81	8.53	-71.06
CC(=NNC(=O)C1CC[N@@H+]1C(C)(C)C)C1=CC=C(C(=O)[O-])O1	REAL300000115516	1	43	0.0	-73.55	328.98	6.27	-67.28
CC(=NNC(=O)C1CC[N@H+]1C(C)(C)C)C1=CC=C(C(=O)[O-])O1	REAL300000115516	1	43	0.0	-72.96	345.60	6.89	-66.07
CC(OC1=CC=C(C=NNC(=O)C2CC[N@@H+]2C(C)(C)C)C=C1)C(=O)[O-]	REAL300000115517	0	50	0.0	-77.60	376.56	7.97	-69.63
CC(OC1=CC=C(C=NNC(=O)C2CC[N@H+]2C(C)(C)C)C=C1)C(=O)[O-]	REAL300000115517	1	50	0.0	-78.37	376.40	8.33	-70.04
CC(C)(C)[N@@H+]1CCC1C(=O)NN=C1CCC(C(=O)[O-])C2=CC=CC=C21	REAL300000115518	1	50	0.0	-71.40	380.01	9.28	-62.12
CC(C)(C)[N@H+]1CCC1C(=O)NN=C1CCC(C(=O)[O-])C2=CC=CC=C21	REAL300000115518	1	50	0.0	-71.48	380.86	9.33	-62.15
CC(C)(C)[N@@H+]1CCC1C(=O)NN=CC1=CN(CC(=O)[O-])C2=CC=CC=C12	REAL300000115519	1	50	0.0	-71.42	382.80	9.70	-61.72
CC(C)(C)[N@H+]1CCC1C(=O)NN=CC1=CN(CC(=O)[O-])C2=CC=CC=C12	REAL300000115519	1	50	0.0	-70.16	399.67	9.98	-60.18
CC1=C(C(=O)[O-])C=C(C=NNC(=O)C2CC[N@@H+]2C(C)(C)C)N1	REAL300000115520	0	44	0.0	-85.68	333.78	5.41	-80.27
CC1=C(C(=O)[O-])C=C(C=NNC(=O)C2CC[N@H+]2C(C)(C)C)N1	REAL300000115520	1	44	0.0	-86.09	332.67	5.67	-80.42
CC(C)(C)[N@@H+]1CCC1C(=O)NN=CC1=CC=CC(C(=O)[O-])=C1	REAL300000115521	1	43	0.0	-72.68	327.42	7.42	-65.26
CC(C)(C)[N@H+]1CCC1C(=O)NN=CC1=CC=CC(C(=O)[O-])=C1	REAL300000115521	1	43	0.0	-70.91	345.04	7.67	-63.24
CC(=NNC(=O)C1CC[N@@H+]1C(C)(C)C)C1=CC=CC(OCCCC(=O)[O-])=C1	REAL300000115522	1	56	0.0	-79.24	415.89	8.90	-70.34
CC(=NNC(=O)C1CC[N@H+]1C(C)(C)C)C1=CC=CC(OCCCC(=O)[O-])=C1	REAL300000115522	1	56	0.0	-79.63	414.75	9.19	-70.44
CC(CCC1=CC=C(OC(C)C(=O)[O-])C=C1)=NNC(=O)C1CC[N@@H+]1C(C)(C)C	REAL300000115523	1	59	0.0	-78.33	455.39	10.74	-67.59
CC(CCC1=CC=C(OC(C)C(=O)[O-])C=C1)=NNC(=O)C1CC[N@H+]1C(C)(C)C	REAL300000115523	1	59	0.0	-78.30	437.84	10.09	-68.21
CC(CCC1=CC=C(OCC(=O)[O-])C=C1)=NNC(=O)C1CC[N@@H+]1C(C)(C)C	REAL300000115524	1	56	0.0	-77.61	435.34	10.07	-67.54
CC(CCC1=CC=C(OCC(=O)[O-])C=C1)=NNC(=O)C1CC[N@H+]1C(C)(C)C	REAL300000115524	1	56	0.0	-79.39	419.15	9.88	-69.51
CC(=NNC(=O)C1CC[N@@H+]1C(C)(C)C)C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000115525	1	53	0.0	-80.74	389.19	8.52	-72.22
CC(=NNC(=O)C1CC[N@H+]1C(C)(C)C)C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000115525	1	53	0.0	-79.80	392.49	8.57	-71.23
CC(CCC1=CC=C(OCCC(=O)[O-])C=C1)=NNC(=O)C1CC[N@@H+]1C(C)(C)C	REAL300000115526	1	59	0.0	-73.06	457.71	10.26	-62.80
CC(CCC1=CC=C(OCCC(=O)[O-])C=C1)=NNC(=O)C1CC[N@H+]1C(C)(C)C	REAL300000115526	1	59	0.0	-74.78	440.10	10.00	-64.78
CC(=NNC(=O)C1CC[N@@H+]1C(C)(C)C)C1=CSC(C(=O)[O-])=C1	REAL300000115527	1	43	0.0	-78.87	351.76	7.36	-71.51
CC(=NNC(=O)C1CC[N@H+]1C(C)(C)C)C1=CSC(C(=O)[O-])=C1	REAL300000115527	1	43	0.0	-81.18	333.83	7.11	-74.07
CC(C)(C)[N@@H+]1CCC1C(=O)NN=C1CC(C(=O)[O-])(C2=CC=CC=C2)C1	REAL300000115528	1	50	0.0	-63.77	386.80	9.22	-54.55
CC(C)(C)[N@H+]1CCC1C(=O)NN=C1CC(C(=O)[O-])(C2=CC=CC=C2)C1	REAL300000115528	1	50	0.0	-64.07	370.61	8.61	-55.46
CC(=NNC(=O)C1CC[N@@H+]1C(C)(C)C)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	REAL300000115529	1	55	0.0	-69.54	401.74	9.46	-60.08
CC(=NNC(=O)C1CC[N@H+]1C(C)(C)C)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	REAL300000115529	1	55	0.0	-69.97	385.35	8.84	-61.13
CC(CCCCCCC(=O)[O-])=NNC(=O)C1CC[N@@H+]1C(C)(C)C	REAL300000115530	1	54	0.0	-72.30	393.37	8.61	-63.69
CC(CCCCCCC(=O)[O-])=NNC(=O)C1CC[N@H+]1C(C)(C)C	REAL300000115530	1	54	0.0	-73.74	392.30	8.95	-64.79
CC1C(=NNC(=O)C2CC[N@@H+]2C(C)(C)C)CCC1CC(=O)[O-]	REAL300000115531	1	49	0.0	-65.98	368.22	7.80	-58.18
CC1C(=NNC(=O)C2CC[N@H+]2C(C)(C)C)CCC1CC(=O)[O-]	REAL300000115531	1	49	0.0	-66.88	345.84	6.98	-59.90
CC(=NNC(=O)C1CC[N@@H+]1C(C)(C)C)C1=CC(C(=O)[O-])=CS1	REAL300000115532	1	43	0.0	-82.14	335.82	6.82	-75.32
CC(=NNC(=O)C1CC[N@H+]1C(C)(C)C)C1=CC(C(=O)[O-])=CS1	REAL300000115532	1	43	0.0	-82.70	334.69	7.12	-75.58
CC1C(=NNC(=O)C2CC[N@@H+]2C(C)(C)C)CCC(C(=O)[O-])C1(C)C	REAL300000115533	1	55	0.0	-66.05	387.52	8.15	-57.90
CC1C(=NNC(=O)C2CC[N@H+]2C(C)(C)C)CCC(C(=O)[O-])C1(C)C	REAL300000115533	1	55	0.0	-67.16	368.96	7.71	-59.45
CC1CC(C(=O)[O-])CCC1=NNC(=O)C1CC[N@@H+]1C(C)(C)C	REAL300000115534	1	49	0.0	-67.53	361.81	7.59	-59.94
CC1CC(C(=O)[O-])CCC1=NNC(=O)C1CC[N@H+]1C(C)(C)C	REAL300000115534	1	49	0.0	-69.93	346.92	7.67	-62.26
CC1CC(=NNC(=O)C2CC[N@@H+]2C(C)(C)C)CCC1C(=O)[O-]	REAL300000115535	1	49	0.0	-66.15	355.52	7.41	-58.74
CC1CC(=NNC(=O)C2CC[N@H+]2C(C)(C)C)CCC1C(=O)[O-]	REAL300000115535	1	49	0.0	-69.77	346.62	7.09	-62.68
CC(C)(C)[N@@H+]1CCC1C(=O)NN=C1CC(C(=O)[O-])(C2=CC=CC(Cl)=C2)C1	REAL300000115536	1	50	0.0	-62.90	402.99	9.69	-53.21
CC(C)(C)[N@H+]1CCC1C(=O)NN=C1CC(C(=O)[O-])(C2=CC=CC(Cl)=C2)C1	REAL300000115536	1	50	0.0	-63.52	386.78	9.07	-54.45
CC(C)(C)[N@@H+]1CCC1C(=O)NN=C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300000115537	1	50	0.0	-79.54	382.53	9.35	-70.19
CC(C)(C)[N@H+]1CCC1C(=O)NN=C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300000115537	1	50	0.0	-79.71	382.84	9.34	-70.37
CC(CC1(C(=O)[O-])CCC1)=NNC(=O)C1CC[N@@H+]1C(C)(C)C	REAL300000115538	1	49	0.0	-69.30	361.98	7.86	-61.44
CC(CC1(C(=O)[O-])CCC1)=NNC(=O)C1CC[N@H+]1C(C)(C)C	REAL300000115538	1	49	0.0	-71.48	347.64	7.50	-63.98
CC(=NNC(=O)C1CC[N@@H+]1C(C)(C)C)C1=C(CC(=O)[O-])C2=CC=C(C)C=C2O1	REAL300000115539	1	55	0.0	-76.66	430.00	10.42	-66.24
CC(=NNC(=O)C1CC[N@H+]1C(C)(C)C)C1=C(CC(=O)[O-])C2=CC=C(C)C=C2O1	REAL300000115539	1	55	0.0	-78.91	412.39	10.16	-68.75
CC1=CC(C)=C(C(=O)[O-])C=C1C=NNC(=O)C1CC[N@@H+]1C(C)(C)C	REAL300000115540	0	49	0.0	-69.73	376.73	9.15	-60.58
CC1=CC(C)=C(C(=O)[O-])C=C1C=NNC(=O)C1CC[N@H+]1C(C)(C)C	REAL300000115540	1	49	0.0	-70.04	376.67	9.11	-60.93
CC(C)(C)[N@@H+]1CCC1C(=O)NN=CC1=CC=CC(C(=O)[O-])=C1Cl	REAL300000115541	1	43	0.0	-82.48	335.40	8.02	-74.46
CC(C)(C)[N@H+]1CCC1C(=O)NN=CC1=CC=CC(C(=O)[O-])=C1Cl	REAL300000115541	1	43	0.0	-79.92	353.01	8.26	-71.66
CC(C)(C)[N@@H+]1CCC1C(=O)NN=C1CCCCC2=CC(C(=O)[O-])=CC=C21	REAL300000115542	1	53	0.0	-62.06	383.05	9.48	-52.58
CC(C)(C)[N@H+]1CCC1C(=O)NN=C1CCCCC2=CC(C(=O)[O-])=CC=C21	REAL300000115542	1	53	0.0	-62.10	384.35	9.22	-52.88
CN1N=CC(C(=O)[O-])=C1C=NNC(=O)C1CC[N@@H+]1C(C)(C)C	REAL300000115543	0	43	0.0	-75.59	339.74	5.91	-69.68
CN1N=CC(C(=O)[O-])=C1C=NNC(=O)C1CC[N@H+]1C(C)(C)C	REAL300000115543	1	43	0.0	-77.76	322.86	5.53	-72.23
CC(C)(C)[N@@H+]1CCC1C(=O)NN=CC1=CC=C(C(=O)[O-])C(F)=C1	REAL300000115544	1	43	0.0	-84.83	331.81	7.46	-77.37
CC(C)(C)[N@H+]1CCC1C(=O)NN=CC1=CC=C(C(=O)[O-])C(F)=C1	REAL300000115544	1	43	0.0	-82.44	332.93	7.15	-75.29
CC(C)(C)[N@@H+]1CCC1C(=O)NN=CC1=CC=C(C=CC(=O)[O-])O1	REAL300000115545	1	44	0.0	-86.79	363.87	5.62	-81.17
CC(C)(C)[N@H+]1CCC1C(=O)NN=CC1=CC=C(C=CC(=O)[O-])O1	REAL300000115545	1	44	0.0	-86.47	363.38	5.62	-80.85
CC(=NNC(=O)C1CC[N@@H+]1C(C)(C)C)C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000115546	1	56	0.0	-70.50	425.77	9.45	-61.05
CC(=NNC(=O)C1CC[N@H+]1C(C)(C)C)C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000115546	1	56	0.0	-71.15	408.83	8.83	-62.32
CC(C)(C)[N@@H+]1CCC1C(=O)NN=C1CCC2=CC=CC(C(=O)[O-])=C21	REAL300000115547	1	47	0.0	-79.90	362.04	8.98	-70.92
CC(C)(C)[N@H+]1CCC1C(=O)NN=C1CCC2=CC=CC(C(=O)[O-])=C21	REAL300000115547	1	47	0.0	-79.37	361.56	8.98	-70.39
CC(C)(C)[N@@H+]1CCC1C(=O)NN=CC1=CC=C(C2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300000115548	1	53	0.0	-83.77	401.36	10.83	-72.94
CC(C)(C)[N@H+]1CCC1C(=O)NN=CC1=CC=C(C2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300000115548	1	53	0.0	-83.47	402.49	10.52	-72.95
CC(=NNC(=O)C1CC[N@@H+]1C(C)(C)C)C1=CN=CC(C(=O)[O-])=C1	REAL300000115549	1	45	0.0	-79.30	337.54	5.91	-73.39
CC(=NNC(=O)C1CC[N@H+]1C(C)(C)C)C1=CN=CC(C(=O)[O-])=C1	REAL300000115549	1	45	0.0	-79.43	336.99	6.18	-73.25
CC(C)(C)[N@@H+]1CCC1C(=O)NN=CC1=CNC2=CC=C(C(=O)[O-])C=C12	REAL300000115550	1	47	0.0	-92.45	358.04	7.49	-84.96
CC(C)(C)[N@H+]1CCC1C(=O)NN=CC1=CNC2=CC=C(C(=O)[O-])C=C12	REAL300000115550	1	47	0.0	-89.00	375.99	7.76	-81.24
CC(C)(C)[N@@H+]1CCC1C(=O)NN=CC1=CC=C(C(=O)[O-])N=C1	REAL300000115551	1	42	0.0	-84.39	323.11	5.66	-78.73
CC(C)(C)[N@H+]1CCC1C(=O)NN=CC1=CC=C(C(=O)[O-])N=C1	REAL300000115551	1	42	0.0	-84.09	324.22	5.38	-78.71
CC(C)(C)[N@@H+]1CCC1C(=O)NN=CC1=CC=C(C(=O)[O-])C(O)=C1	REAL300000115552	1	44	0.0	-81.91	336.08	5.48	-76.43
CC(C)(C)[N@H+]1CCC1C(=O)NN=CC1=CC=C(C(=O)[O-])C(O)=C1	REAL300000115552	1	44	0.0	-79.65	353.70	5.73	-73.92
CC1=CC=C(C=NNC(=O)C2CC[N@@H+]2C(C)(C)C)C=C1C(=O)[O-]	REAL300000115553	0	46	0.0	-70.96	344.80	7.65	-63.31
CC1=CC=C(C=NNC(=O)C2CC[N@H+]2C(C)(C)C)C=C1C(=O)[O-]	REAL300000115553	1	46	0.0	-71.96	365.44	8.31	-63.65
CC(C)(C)[N@@H+]1CCC1C(=O)NN=CC1=CC(C(=O)[O-])=C(Cl)S1	REAL300000115554	1	40	0.0	-73.30	332.75	6.98	-66.32
CC(C)(C)[N@H+]1CCC1C(=O)NN=CC1=CC(C(=O)[O-])=C(Cl)S1	REAL300000115554	1	40	0.0	-71.67	350.83	7.24	-64.43
CC(=NNC(=O)C1CC[N@@H+]1C(C)(C)C)C1=CC=C(C(=O)[O-])C=C1C	REAL300000115555	1	49	0.0	-79.12	364.66	7.95	-71.17
CC(=NNC(=O)C1CC[N@H+]1C(C)(C)C)C1=CC=C(C(=O)[O-])C=C1C	REAL300000115555	1	49	0.0	-78.72	357.46	8.53	-70.19
CC(C)(C)[N@@H+]1CCC1C(=O)NN=CC1=CC(Cl)=NC=C1C(=O)[O-]	REAL300000115556	1	42	0.0	-53.89	337.03	5.05	-48.84
CC(C)(C)[N@H+]1CCC1C(=O)NN=CC1=CC(Cl)=NC=C1C(=O)[O-]	REAL300000115556	1	42	0.0	-53.42	351.83	6.13	-47.29
CN1N=C(C(=O)[O-])C=C1C=NNC(=O)C1CC[N@@H+]1C(C)(C)C	REAL300000115557	1	43	0.0	-87.13	348.48	5.31	-81.82
CN1N=C(C(=O)[O-])C=C1C=NNC(=O)C1CC[N@H+]1C(C)(C)C	REAL300000115557	1	43	0.0	-89.62	330.53	5.04	-84.58
CC(C)(C)[N@@H+]1CCC1C(=O)NN=CC1=CC=C(C2=CC=C(O)C(C(=O)[O-])=C2)O1	REAL300000115558	1	51	0.0	-92.21	397.39	7.23	-84.98
CC(C)(C)[N@H+]1CCC1C(=O)NN=CC1=CC=C(C2=CC=C(O)C(C(=O)[O-])=C2)O1	REAL300000115558	1	51	0.0	-89.52	415.00	7.49	-82.03
CN1C=C(C(=O)[O-])C=C1C=NNC(=O)C1CC[N@@H+]1C(C)(C)C	REAL300000115559	0	44	0.0	-86.12	353.32	7.11	-79.01
CN1C=C(C(=O)[O-])C=C1C=NNC(=O)C1CC[N@H+]1C(C)(C)C	REAL300000115559	1	44	0.0	-86.42	353.47	7.10	-79.32
CN(C)C1=CC=C(C(=O)[O-])C=C1C=NNC(=O)C1CC[N@@H+]1C(C)(C)C	REAL300000115560	0	51	0.0	-69.18	397.21	8.55	-60.63
CN(C)C1=CC=C(C(=O)[O-])C=C1C=NNC(=O)C1CC[N@H+]1C(C)(C)C	REAL300000115560	1	51	0.0	-69.38	397.35	8.54	-60.84
CC1=C(C(=O)[O-])C=C(C=NNC(=O)C2CC[N@@H+]2C(C)(C)C)O1	REAL300000115561	1	43	0.0	-75.03	331.89	5.98	-69.05
CC1=C(C(=O)[O-])C=C(C=NNC(=O)C2CC[N@H+]2C(C)(C)C)O1	REAL300000115561	1	43	0.0	-73.91	332.36	5.40	-68.51
CC(C)(C)[N@@H+]1CCC1C(=O)NN=CC1=CC=C(C2=CC=C(C(=O)[O-])C=C2)S1	REAL300000115562	1	50	0.0	-82.01	398.89	9.27	-72.74
CC(C)(C)[N@H+]1CCC1C(=O)NN=CC1=CC=C(C2=CC=C(C(=O)[O-])C=C2)S1	REAL300000115562	1	50	0.0	-81.97	413.26	10.35	-71.62
CC(C)(C)[N@@H+]1CCC1C(=O)NN=CC1=CC=C(C2=CC=CC(C(=O)[O-])=C2)S1	REAL300000115563	1	50	0.0	-85.33	399.18	9.31	-76.02
CC(C)(C)[N@H+]1CCC1C(=O)NN=CC1=CC=C(C2=CC=CC(C(=O)[O-])=C2)S1	REAL300000115563	1	50	0.0	-87.48	397.09	9.83	-77.65
CCC1=CC(C(=O)[O-])=C(C=NNC(=O)C2CC[N@@H+]2C(C)(C)C)S1	REAL300000115564	1	46	0.0	-60.49	375.65	8.12	-52.37
CCC1=CC(C(=O)[O-])=C(C=NNC(=O)C2CC[N@H+]2C(C)(C)C)S1	REAL300000115564	1	46	0.0	-61.25	361.26	7.05	-54.20
COC1=CC=C(C(=O)[O-])C=C1C=NNC(=O)C1CC[N@@H+]1C(C)(C)C	REAL300000115565	1	47	0.0	-70.69	372.43	7.35	-63.34
COC1=CC=C(C(=O)[O-])C=C1C=NNC(=O)C1CC[N@H+]1C(C)(C)C	REAL300000115565	1	47	0.0	-70.94	372.57	7.34	-63.60
CC(C)(C)[N@@H+]1CCC1C(=O)NN=CC1=CSC2=CC=C(C(=O)[O-])C=C12	REAL300000115566	1	46	0.0	-83.42	361.71	8.85	-74.57
CC(C)(C)[N@H+]1CCC1C(=O)NN=CC1=CSC2=CC=C(C(=O)[O-])C=C12	REAL300000115566	1	46	0.0	-83.34	362.09	8.59	-74.75
CC(C)(C)[N@@H+]1CCC1C(=O)NN=C1CCCC2=NC=C(C(=O)[O-])C=C12	REAL300000115567	1	49	0.0	-81.76	360.18	7.30	-74.46
CC(C)(C)[N@H+]1CCC1C(=O)NN=C1CCCC2=NC=C(C(=O)[O-])C=C12	REAL300000115567	1	49	0.0	-79.08	377.93	7.55	-71.53
CC(C)(C)[N@@H+]1CCC1C(=O)NN=CC1=CC(C(=O)[O-])=CC=C1Br	REAL300000115568	1	43	0.0	-67.23	361.33	8.54	-58.69
CC(C)(C)[N@H+]1CCC1C(=O)NN=CC1=CC(C(=O)[O-])=CC=C1Br	REAL300000115568	1	43	0.0	-67.01	361.19	8.55	-58.46
CC1=CC=C(C=NNC(=O)C2CC[N@@H+]2C(C)(C)C)C(C(=O)[O-])=C1	REAL300000115569	1	46	0.0	-59.15	360.86	8.10	-51.05
CC1=CC=C(C=NNC(=O)C2CC[N@H+]2C(C)(C)C)C(C(=O)[O-])=C1	REAL300000115569	1	46	0.0	-60.55	343.29	7.84	-52.71
COC1=CC(C=NNC(=O)C2CC[N@@H+]2C(C)(C)C)=CC=C1C(=O)[O-]	REAL300000115570	1	47	0.0	-84.77	372.18	7.75	-77.02
COC1=CC(C=NNC(=O)C2CC[N@H+]2C(C)(C)C)=CC=C1C(=O)[O-]	REAL300000115570	1	47	0.0	-85.15	372.65	7.75	-77.40
CC(C)(C)[N@@H+]1CCC1C(=O)NN=CC1=C(F)C=C(C(=O)[O-])C=C1F	REAL300000115571	1	43	0.0	-70.84	337.21	7.60	-63.24
CC(C)(C)[N@H+]1CCC1C(=O)NN=CC1=C(F)C=C(C(=O)[O-])C=C1F	REAL300000115571	1	43	0.0	-68.90	355.29	7.86	-61.04
CC1=C(C(=O)[O-])NC(C=NNC(=O)C2CC[N@@H+]2C(C)(C)C)=C1	REAL300000115572	0	44	0.0	-79.84	333.59	5.32	-74.52
CC1=C(C(=O)[O-])NC(C=NNC(=O)C2CC[N@H+]2C(C)(C)C)=C1	REAL300000115572	1	44	0.0	-79.84	333.22	5.56	-74.28
CC(C)(C)[N@@H+]1CCC1C(=O)NN=CC1=CC=C(OCC2=CC=C(C(=O)[O-])O2)C=C1	REAL300000115574	0	54	0.0	-81.99	421.48	9.18	-72.81
CC(C)(C)[N@H+]1CCC1C(=O)NN=CC1=CC=C(OCC2=CC=C(C(=O)[O-])O2)C=C1	REAL300000115574	1	54	0.0	-82.02	422.62	8.88	-73.14
CC(C)(C)[N@@H+]1CCC1C(=O)NN=CC1=C(O)C(C(=O)[O-])=CC2=CC=CC=C21	REAL300000115575	1	50	0.0	-81.96	394.89	8.14	-73.82
CC(C)(C)[N@H+]1CCC1C(=O)NN=CC1=C(O)C(C(=O)[O-])=CC2=CC=CC=C21	REAL300000115575	1	50	0.0	-83.83	377.90	7.62	-76.21
CC(C)(C)[N@@H+]1CCC1C(=O)NN=CC1=CC=C(C2=CC=CC(CC(=O)[O-])=C2)C=C1	REAL300000115576	1	56	0.0	-79.54	426.93	10.80	-68.74
CC(C)(C)[N@H+]1CCC1C(=O)NN=CC1=CC=C(C2=CC=CC(CC(=O)[O-])=C2)C=C1	REAL300000115576	1	56	0.0	-79.76	441.32	11.87	-67.89
CC(C)(C)[N@@H+]1CCC1C(=O)NN=CC1=C(C(=O)[O-])C=C(Cl)S1	REAL300000115577	1	40	0.0	-58.64	332.46	6.90	-51.74
CC(C)(C)[N@H+]1CCC1C(=O)NN=CC1=C(C(=O)[O-])C=C(Cl)S1	REAL300000115577	1	40	0.0	-57.53	349.79	7.18	-50.35
CC(C)(C)[N@@H+]1CCC1C(=O)NN=CC1=C(C(=O)[O-])C=CS1	REAL300000115578	1	40	0.0	-61.44	315.43	6.27	-55.17
CC(C)(C)[N@H+]1CCC1C(=O)NN=CC1=C(C(=O)[O-])C=CS1	REAL300000115578	1	40	0.0	-60.11	332.31	6.56	-53.55
CC(C)(C)[N@@H+]1CCC1C(=O)NN=CC1=CSC(C(=O)[O-])=C1	REAL300000115579	1	40	0.0	-70.20	337.30	6.75	-63.45
CC(C)(C)[N@H+]1CCC1C(=O)NN=CC1=CSC(C(=O)[O-])=C1	REAL300000115579	1	40	0.0	-71.30	320.35	6.20	-65.10
CCOC1=CC(C=NNC(=O)C2CC[N@@H+]2C(C)(C)C)=CC=C1OCC(=O)[O-]	REAL300000115580	1	54	0.0	-81.92	427.13	8.64	-73.28
CCOC1=CC(C=NNC(=O)C2CC[N@H+]2C(C)(C)C)=CC=C1OCC(=O)[O-]	REAL300000115580	1	54	0.0	-83.91	409.52	8.39	-75.52
CC(C)(C)[N@@H+]1CCC1C(=O)NN=CC1=CN(C2CCOCC2)N=C1C(=O)[O-]	REAL300000115581	1	54	0.0	-82.81	397.75	6.46	-76.35
CC(C)(C)[N@H+]1CCC1C(=O)NN=CC1=CN(C2CCOCC2)N=C1C(=O)[O-]	REAL300000115581	1	54	0.0	-81.98	398.87	6.19	-75.79
COC1=CC=C(C)C(C=NNC(=O)C2CC[N@@H+]2C(C)(C)C)=C1C(=O)[O-]	REAL300000115582	1	50	0.0	-63.78	382.13	8.42	-55.36
COC1=CC=C(C)C(C=NNC(=O)C2CC[N@H+]2C(C)(C)C)=C1C(=O)[O-]	REAL300000115582	1	50	0.0	-64.71	364.09	8.24	-56.47
CN1C2=CC=C(F)C=C2C(C=NNC(=O)C2CC[N@@H+]2C(C)(C)C)=C1C(=O)[O-]	REAL300000115583	1	50	0.0	-72.54	404.72	9.40	-63.14
CN1C2=CC=C(F)C=C2C(C=NNC(=O)C2CC[N@H+]2C(C)(C)C)=C1C(=O)[O-]	REAL300000115583	1	50	0.0	-72.43	388.29	8.80	-63.63
CC(=NNC(=O)C1CC[N@@H+]1C(C)(C)C)C1=C(C(=O)[O-])C2=CC=CC=C2S1	REAL300000115584	1	49	0.0	-83.10	397.09	9.91	-73.19
CC(=NNC(=O)C1CC[N@H+]1C(C)(C)C)C1=C(C(=O)[O-])C2=CC=CC=C2S1	REAL300000115584	1	49	0.0	-69.94	394.94	9.43	-60.51
CC(C)(C)[N@@H+]1CCC1C(=O)NN=CC1=CC=C(CCC(=O)[O-])O1	REAL300000115585	1	46	0.0	-76.36	371.35	7.42	-68.94
CC(C)(C)[N@H+]1CCC1C(=O)NN=CC1=CC=C(CCC(=O)[O-])O1	REAL300000115585	1	46	0.0	-76.48	371.33	7.42	-69.06
CC(C)(C)[N@@H+]1CCC1C(=O)NN=CC1=C(C(=O)[O-])C=C(Br)S1	REAL300000115586	1	40	0.0	-58.73	337.09	7.01	-51.72
CC(C)(C)[N@H+]1CCC1C(=O)NN=CC1=C(C(=O)[O-])C=C(Br)S1	REAL300000115586	1	40	0.0	-57.64	354.43	7.29	-50.35
CC(C)(C)[N@@H+]1CCC1C(=O)NN=CC1=CNC2=C(C(=O)[O-])C=CC=C12	REAL300000115587	1	47	0.0	-79.77	355.74	7.62	-72.15
CC(C)(C)[N@H+]1CCC1C(=O)NN=CC1=CNC2=C(C(=O)[O-])C=CC=C12	REAL300000115587	1	47	0.0	-77.70	373.35	7.88	-69.82
CC(=NNC(=O)C1CC[N@@H+]1C(C)(C)C)C1=C(C(=O)[O-])C2=CC=CC=C2N=C1	REAL300000115588	1	51	0.0	-80.25	396.85	8.82	-71.43
CC(=NNC(=O)C1CC[N@H+]1C(C)(C)C)C1=C(C(=O)[O-])C2=CC=CC=C2N=C1	REAL300000115588	1	51	0.0	-78.60	378.95	8.26	-70.34
CC(C)(C)[N@@H+]1CCC1C(=O)NN=CC1=CC=C2OC(C(=O)[O-])=CC2=C1	REAL300000115589	1	46	0.0	-80.07	356.71	8.17	-71.90
CC(C)(C)[N@H+]1CCC1C(=O)NN=CC1=CC=C2OC(C(=O)[O-])=CC2=C1	REAL300000115589	1	46	0.0	-78.02	374.32	8.43	-69.59
CC(C)(C)[N@@H+]1CCC1C(=O)NN=CC1=CC=CN2C(C(=O)[O-])=CN=C12	REAL300000115590	1	46	0.0	-74.96	352.30	7.73	-67.23
CC(C)(C)[N@H+]1CCC1C(=O)NN=CC1=CC=CN2C(C(=O)[O-])=CN=C12	REAL300000115590	1	46	0.0	-73.27	369.89	7.99	-65.28
CC(C)(C)[N@@H+]1CCC1C(=O)NN=CC1=CC=CC(F)=C1C(=O)[O-]	REAL300000115591	1	43	0.0	-62.37	343.97	7.48	-54.89
CC(C)(C)[N@H+]1CCC1C(=O)NN=CC1=CC=CC(F)=C1C(=O)[O-]	REAL300000115591	1	43	0.0	-63.95	328.64	6.95	-57.00
CC(C)(C)[N@@H+]1CCC1C(=O)NN=CC1=CC=CC=C1OCC1=CC=C(C(=O)[O-])O1	REAL300000115592	1	54	0.0	-74.51	419.89	9.48	-65.03
CC(C)(C)[N@H+]1CCC1C(=O)NN=CC1=CC=CC=C1OCC1=CC=C(C(=O)[O-])O1	REAL300000115592	1	54	0.0	-74.82	420.34	9.27	-65.55
CC(C)(C)[N@@H+]1CCC1C(=O)NN=CC1=CC=CC(Br)=C1C(=O)[O-]	REAL300000115593	1	43	0.0	-57.00	355.67	7.93	-49.07
CC(C)(C)[N@H+]1CCC1C(=O)NN=CC1=CC=CC(Br)=C1C(=O)[O-]	REAL300000115593	1	43	0.0	-58.95	341.01	7.42	-51.53
CC(C)(C)[N@@H+]1CCC1C(=O)NN=CC1=C(C(=O)[O-])C=CC2=C1OCO2	REAL300000115594	1	46	0.0	-57.33	364.63	6.22	-51.11
CC(C)(C)[N@H+]1CCC1C(=O)NN=CC1=C(C(=O)[O-])C=CC2=C1OCO2	REAL300000115594	1	46	0.0	-58.53	349.40	5.71	-52.82
CC(C)(C)[N@@H+]1CCC1C(=O)NN=CC1=CC(C#N)=CC=C1C(=O)[O-]	REAL300000115595	1	44	0.0	-53.67	360.22	7.78	-45.89
CC(C)(C)[N@H+]1CCC1C(=O)NN=CC1=CC(C#N)=CC=C1C(=O)[O-]	REAL300000115595	1	44	0.0	-53.42	360.24	7.81	-45.61
CC(C)(C)[N@@H+]1CCC1C(=O)NN=CC1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000115596	1	47	0.0	-80.09	374.47	8.24	-71.85
CC(C)(C)[N@H+]1CCC1C(=O)NN=CC1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300000115596	1	47	0.0	-77.60	375.60	7.95	-69.65
CC(C)(C)[N@@H+]1CCC1C(=O)NN=CC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1	REAL300000115597	1	51	0.0	-78.12	403.65	3.93	-74.19
CC(C)(C)[N@H+]1CCC1C(=O)NN=CC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1	REAL300000115597	1	51	0.0	-77.43	404.78	3.63	-73.80
CC1=NSC(C=NNC(=O)C2CC[N@@H+]2C(C)(C)C)=C1C(=O)[O-]	REAL300000115598	1	42	0.0	-56.27	344.25	5.78	-50.49
CC1=NSC(C=NNC(=O)C2CC[N@H+]2C(C)(C)C)=C1C(=O)[O-]	REAL300000115598	1	42	0.0	-56.99	329.55	4.70	-52.29
CC(C)(C)[N@@H+]1CCC1C(=O)NN=CC1=C2C=C(C(=O)[O-])SC2=CC=C1F	REAL300000115599	1	46	0.0	-68.07	368.51	8.97	-59.10
CC(C)(C)[N@H+]1CCC1C(=O)NN=CC1=C2C=C(C(=O)[O-])SC2=CC=C1F	REAL300000115599	1	46	0.0	-66.80	385.39	9.26	-57.54
COC1=CC(C(=O)[O-])=CC=C1C=NNC(=O)C1CC[N@@H+]1C(C)(C)C	REAL300000115600	1	47	0.0	-77.35	372.06	7.31	-70.04
COC1=CC(C(=O)[O-])=CC=C1C=NNC(=O)C1CC[N@H+]1C(C)(C)C	REAL300000115600	1	47	0.0	-79.04	355.18	7.03	-72.01
CC(C)(C)[N@@H+]1CCC1C(=O)NN=CC1=NN([C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300000115601	1	50	0.0	-77.01	375.33	6.94	-70.07
CC(C)(C)[N@H+]1CCC1C(=O)NN=CC1=NN([C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300000115601	1	50	0.0	-74.87	377.24	6.58	-68.29
CC[NH+](CC)CC1=CC(C(C)=NNC(=O)C2=CC=C(C(=O)[O-])C=C2)=CC=C1O	REAL300000115832	0	53	0.0	-70.87	416.09	8.38	-62.49
CC(=NNC(=O)C1=CC=C(C(=O)[O-])C=C1)C1=CC=C(O)C(C[NH+]2CCCCC2)=C1	REAL300000115834	0	54	0.0	-71.27	427.28	9.18	-62.09
COC1=CC=C(C(C)=NNC(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1C[NH+]1CCCC1	REAL300000116017	0	54	0.0	-68.61	430.17	10.50	-58.11
O=C([O-])C1=CC=C(C(=O)NN=C2CC[N@H+](CC3=CC=CC=C3)C2)C=C1	REAL300000116210	1	44	0.0	-84.63	363.73	9.74	-74.89
O=C([O-])C1=CC=C(C(=O)NN=C2CC[N@@H+](CC3=CC=CC=C3)C2)C=C1	REAL300000116210	1	44	0.0	-84.63	363.77	9.74	-74.89
O=C([O-])C1=CC=C(C(=O)NN=CC2=CC=C(OCC[NH+]3CCCC3)C=C2)C=C1	REAL300000116254	0	51	0.0	-78.03	416.76	10.27	-67.76
CC[N@@H+]1CCCC1CN1C(C)=CC(C=NNC(=O)C2=CC=C(C(=O)[O-])C=C2)=C1C	REAL300000116258	0	57	0.0	-78.94	437.47	11.55	-67.39
CC[N@H+]1CCCC1CN1C(C)=CC(C=NNC(=O)C2=CC=C(C(=O)[O-])C=C2)=C1C	REAL300000116258	1	57	0.0	-78.94	437.47	11.55	-67.39
CC1=CC(C=NNC(=O)C2=CC=C(C(=O)[O-])C=C2)=C(C)N1CCN1CCOCC1	REAL300000116281	0	55	0.0	-84.00	439.31	9.92	-74.08
CC1=CC(C=NNC(=O)C2=CC=C(C(=O)[O-])C=C2)=C(C)N1CC[NH+]1CCOCC1	REAL300000116281	1	55	0.0	-84.00	439.31	9.92	-74.08
C[NH+](C)CCOC1=CC=C(C=NNC(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300000116306	0	47	0.0	-79.32	391.48	9.18	-70.14
CN1CCN(C2=CC=C(C=NNC(=O)C3=CC=C(C(=O)[O-])C=C3)C=C2F)CC1	REAL300000116344	0	49	0.0	-79.38	405.35	8.87	-70.51
C[NH+]1CCN(C2=CC=C(C=NNC(=O)C3=CC=C(C(=O)[O-])C=C3)C=C2F)CC1	REAL300000116344	1	49	0.0	-79.38	405.35	8.87	-70.51
CC(=NNC(=O)C1=CC=C(C(=O)[O-])C=C1)C1=CC=CC(OCC[NH+](C)C)=C1	REAL300000116386	0	50	0.0	-76.36	405.34	9.75	-66.61
CC(=NNC(=O)C1=CC=C(C(=O)[O-])C=C1)C1=CC=C(O)C(CN2CCOCC2)=C1	REAL300000116388	0	52	0.0	-76.22	417.63	6.86	-69.36
CC(=NNC(=O)C1=CC=C(C(=O)[O-])C=C1)C1=CC=C(O)C(C[NH+]2CCOCC2)=C1	REAL300000116388	1	52	0.0	-76.22	417.63	6.86	-69.36
CC(=NNC(=O)C1=CC=C(C(=O)[O-])C=C1)C1=CC=C(OCC[NH+](C)C)C=C1	REAL300000116420	0	50	0.0	-81.76	405.29	9.73	-72.03
CC1C[N@H+](CC2=CC=CC=N2)CCC1=NNC(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000116636	0	49	0.0	-82.27	390.22	9.64	-72.63
CCOCCC[N@@H+]1CCC(=NNC(=O)C2=CC=C(C(=O)[O-])C=C2)C(C)C1	REAL300000116654	0	53	0.0	-85.85	415.43	9.01	-76.84
CCOCCC[N@H+]1CCC(=NNC(=O)C2=CC=C(C(=O)[O-])C=C2)C(C)C1	REAL300000116654	1	53	0.0	-85.85	415.43	9.01	-76.84
CC[N@@H+]1CCC(=NNC(=O)C2=CC=C(C(=O)[O-])C=C2)C(C)C1	REAL300000116668	0	43	0.0	-81.95	338.78	8.24	-73.71
CC[N@H+]1CCC(=NNC(=O)C2=CC=C(C(=O)[O-])C=C2)C(C)C1	REAL300000116668	1	43	0.0	-81.95	338.78	8.24	-73.71
C[N@H+](CC1=CC=CC=C1)CC(C)(C)C=NNC(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000116727	0	52	0.0	-81.95	408.84	11.28	-70.67
C[N@@H+](CC1=CC=CC=C1)CC(C)(C)C=NNC(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000116727	1	52	0.0	-81.95	408.84	11.28	-70.67
O=C([O-])C1=CC=C(C(=O)NN=C2CCCCC2[NH+]2CCCCCC2)C=C1	REAL300000116737	0	53	0.0	-69.18	385.87	10.43	-58.75
CC1CC(C)C[NH+](C2CCCCC2=NNC(=O)C2=CC=C(C(=O)[O-])C=C2)C1	REAL300000116742	0	56	0.0	-70.30	413.90	11.20	-59.10
CC1CN(CC2=CC=CC=C2)CC1=NNC(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000116770	0	47	0.0	-86.40	385.18	10.26	-76.14
CC1C[N@H+](CC2=CC=CC=C2)CC1=NNC(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000116770	1	47	0.0	-86.41	385.27	10.26	-76.15
CC1C[N@@H+](CC2=CC=CC=C2)CC1=NNC(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000116770	1	47	0.0	-86.41	385.27	10.26	-76.15
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CC1CC(=NNC(=O)C2=CC=C(C(=O)[O-])C=C2)CN1C1CC1	REAL300000116793	0	41	0.0	-75.89	332.91	7.79	-68.10
CC1CC(=NNC(=O)C2=CC=C(C(=O)[O-])C=C2)C[N@@H+]1C1CC1	REAL300000116793	1	41	0.0	-75.92	332.53	8.00	-67.92
CC1CC(=NNC(=O)C2=CC=C(C(=O)[O-])C=C2)C[N@H+]1C1CC1	REAL300000116793	1	41	0.0	-75.92	332.53	8.00	-67.92
CN1CCN(C2=NC=C(C=NNC(=O)C3=CC=C(C(=O)[O-])C=C3)C=N2)CC1	REAL300000116798	0	47	0.0	-81.47	389.62	8.16	-73.31
C[NH+]1CCN(C2=NC=C(C=NNC(=O)C3=CC=C(C(=O)[O-])C=C3)C=N2)CC1	REAL300000116798	1	47	0.0	-81.47	389.62	8.16	-73.31
CC(C)[N@H+]1CC(=NNC(=O)C2=CC=C(C(=O)[O-])C=C2)C(C)C1	REAL300000116799	0	43	0.0	-79.33	344.56	7.87	-71.46
CC1CN(C2CC2)CC1=NNC(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000116827	0	41	0.0	-78.87	338.05	8.10	-70.77
CC1C[N@@H+](C2CC2)CC1=NNC(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000116827	1	41	0.0	-78.79	337.95	8.11	-70.68
CC1C[N@H+](C2CC2)CC1=NNC(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000116827	1	41	0.0	-78.79	337.95	8.11	-70.68
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1=NNC(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000116845	0	53	0.0	-83.06	413.69	11.69	-71.37
CC1CC(=NNC(=O)C2=CC=C(C(=O)[O-])C=C2)CN1CC1=CC=CC=C1	REAL300000116882	0	47	0.0	-81.91	380.07	10.01	-71.90
CC1CC(=NNC(=O)C2=CC=C(C(=O)[O-])C=C2)C[N@@H+]1CC1=CC=CC=C1	REAL300000116882	1	47	0.0	-78.89	381.21	10.22	-68.67
CC1CC(=NNC(=O)C2=CC=C(C(=O)[O-])C=C2)C[N@H+]1CC1=CC=CC=C1	REAL300000116882	1	47	0.0	-78.89	381.21	10.22	-68.67
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O=C([O-])C1=CC=C(C(=O)NN=C2CCCC3C[N@@H+](CC4=CC=CC=C4)CC23)C=C1	REAL300000117011	1	54	0.0	-80.77	420.88	11.97	-68.80
C[NH+]1CCN(C2=CC=C(C=NNC(=O)C3=CC=C(C(=O)[O-])C=C3)C=C2)CC1	REAL300000117038	0	49	0.0	-81.82	395.31	8.57	-73.25
CN(C)C1=CC=[NH+]C=C1C=NNC(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000117049	0	39	0.0	-82.52	334.24	6.96	-75.56
CC1CC[N@H+](CC2=CC=CC=C2)CC1=NNC(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000117053	1	50	0.0	-84.41	395.11	10.86	-73.55
CC1CC[N@@H+](CC2=CC=CC=C2)CC1=NNC(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300000117053	1	50	0.0	-84.51	395.08	10.86	-73.65
C[NH+]1CCC2(CC1)CC(=NNC(=O)C1=CC=C(C(=O)[O-])C=C1)C1=CC=CC=C1O2	REAL300000117099	0	52	0.0	-80.15	408.73	10.27	-69.88
CC1CC(=NNC(=O)C2=CC=C(C(=O)[O-])C=C2)C[N@@H+](CC2=CC=CC=C2)C1	REAL300000117141	1	50	0.0	-83.21	399.45	11.03	-72.18
CC1CC(=NNC(=O)C2=CC=C(C(=O)[O-])C=C2)C[N@H+](CC2=CC=CC=C2)C1	REAL300000117141	1	50	0.0	-83.23	399.49	11.03	-72.20
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CC(=NNC(=O)C1=CC=C(C(=O)[O-])C=C1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300000117165	0	50	0.0	-73.80	402.84	11.23	-62.57
CC(=NNC(=O)C1=CC=C(C(=O)[O-])C=C1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300000117165	1	50	0.0	-73.78	402.24	11.20	-62.58
C[N@H+](CC1=CC=CC=C1)C1CCC(=NNC(=O)C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300000117287	0	53	0.0	-84.52	412.19	11.59	-72.93
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C[NH+](C)C1CCCC(=NNC(=O)C2=CC=C(C(=O)[O-])C=C2)C1	REAL300000117352	0	43	0.0	-79.44	336.05	8.03	-71.41
NC1=CC=C2C(=NNC(=O)C3=CC=C(C(=O)[O-])C=C3)CCCC2=[NH+]1	REAL300000117478	0	40	0.0	-74.26	333.73	6.55	-67.71
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O=C([O-])C1=CC=C(C(=O)NN=C2CC[N@@H+](CC3=CC=CC=C3)C3CCCC23)C=C1	REAL300000117512	1	54	0.0	-82.10	419.87	11.96	-70.14
C[NH+](C)CC(C)(C=NNC(=O)C1=CC=C(C(=O)[O-])C=C1)C1=CC=CC=C1	REAL300000117558	0	49	0.0	-80.27	384.40	10.29	-69.98
CC(=NNC(=O)C1=CC=C(C(=O)[O-])C=C1)C1CC[NH+](C)CC1	REAL300000117562	0	43	0.0	-77.13	340.74	8.24	-68.89
CC1C(=NNC(=O)C2=CC=C(C(=O)[O-])C=C2)CCC[N@H+]1CC1=CC=CC=C1	REAL300000117583	1	50	0.0	-79.00	394.07	11.05	-67.95
CC1C(=NNC(=O)C2=CC=C(C(=O)[O-])C=C2)CCC[N@@H+]1CC1=CC=CC=C1	REAL300000117583	1	50	0.0	-78.89	393.81	11.06	-67.83
CC(=NNC(=O)C1=CC=C(C(=O)[O-])C=C1)C1=CC=C(C[NH+](C)C)C=C1	REAL300000117663	0	46	0.0	-81.95	375.52	9.97	-71.98
CC(=NNC(=O)C1=CC=C(C(=O)[O-])C=C1)C1=CC=CC(C[NH+](C)C)=C1	REAL300000117664	0	46	0.0	-74.10	375.48	9.97	-64.13
COCC[NH+]1C2CCC1CC(=NNC(=O)C1=CC=C(C(=O)[O-])C=C1)C2	REAL300000117667	0	48	0.0	-78.31	371.18	7.27	-71.04
CC(C)(O)C[NH+]1CCC(=NNC(=O)C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300000117712	0	47	0.0	-79.79	365.29	6.19	-73.60
CC1C(=NNC(=O)C2=CC=C(C(=O)[O-])C=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300000117719	1	47	0.0	-80.97	379.73	10.00	-70.97
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CC1CCC(=NNC(=O)C2=CC=C(C(=O)[O-])C=C2)C[N@H+]1CC1=CC=CC=C1	REAL300000118436	1	50	0.0	-80.23	395.28	10.91	-69.32
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C[N@H+]1C[C@@H]2CCCC(=NNC(=O)C3=CC=C(C(=O)[O-])C=C3)[C@@H]2C1	REAL300000118575	1	44	0.0	-80.58	340.77	8.18	-72.40
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CC1=CC(NN=CC2=CC(C(=O)[O-])=CC=C2N(C)C)=NC(N)=[NH+]1	REAL300000119311	0	41	0.0	-65.01	345.39	8.55	-56.46
CC1=CC(NN=CC2=CC=C(C3=CC=CC(CC(=O)[O-])=C3)C=C2)=NC(N)=[NH+]1	REAL300000119325	0	46	0.0	-69.55	389.83	11.89	-57.66
CC1=[NH+]C2=CC(NN=CC3=CC=CC=C3OCC(=O)[O-])=CC=C2N1	REAL300000123394	1	40	0.0	-62.15	344.03	8.54	-53.61
CC1=[NH+]C2=CC(NN=CC3=CC=C(OCC(=O)[O-])C=C3)=CC=C2N1	REAL300000123395	1	40	0.0	-68.33	345.01	8.52	-59.81
CC1=[NH+]C2=CC(NN=C3CCCC4=C3C(C)=C(C(=O)[O-])O4)=CC=C2N1	REAL300000123396	1	43	0.0	-72.94	350.49	9.08	-63.86
CC1=[NH+]C2=CC(NN=CC3=CC=CC(OC(C)C(=O)[O-])=C3)=CC=C2N1	REAL300000123397	1	43	0.0	-67.44	362.71	9.10	-58.34
CC1=[NH+]C2=CC(NN=CC3=CC=CC(OCCC(=O)[O-])=C3)=CC=C2N1	REAL300000123398	1	43	0.0	-64.58	365.98	8.64	-55.94
CC1=[NH+]C2=CC(NN=CC3=CC=C(OCC(=O)[O-])C([N+](=O)[O-])=C3)=CC=C2N1	REAL300000123399	1	42	0.0	-78.38	371.01	9.69	-68.69
CC1=[NH+]C2=CC(NN=CC3=CC=CC(OCC(=O)[O-])=C3)=CC=C2N1	REAL300000123400	1	40	0.0	-66.81	345.03	8.52	-58.29
COC1=CC=C(C=NNC2=CC=C3NC(C)=[NH+]C3=C2)C(OCC(=O)[O-])=C1	REAL300000123401	1	44	0.0	-63.40	373.45	7.84	-55.56
CC1=[NH+]C2=CC(NN=CC3=CC=C(OC(F)(F)C(=O)[O-])C=C3)=CC=C2N1	REAL300000123402	1	40	0.0	-64.70	354.28	8.69	-56.01
CC1=[NH+]C2=CC(NN=CC3=C(Br)C=C(C(=O)[O-])N3C)=CC=C2N1	REAL300000123403	1	37	0.0	-67.63	332.30	8.01	-59.62
COC1=C2OC(C(=O)[O-])=CC2=C(C=NNC2=CC=C3NC(C)=[NH+]C3=C2)C=C1	REAL300000123404	1	43	0.0	-74.61	365.61	8.15	-66.46
CC1=[NH+]C2=CC(NN=CC3=C4C=CC(C(=O)[O-])=CC4=NN3)=CC=C2N1	REAL300000123405	1	39	0.0	-77.23	336.80	6.74	-70.49
COC1=CC(C=NNC2=CC=C3NC(C)=[NH+]C3=C2)=C([N+](=O)[O-])C=C1OCC(=O)[O-]	REAL300000123406	1	46	0.0	-78.68	396.93	8.45	-70.23
COC1=CC(C=NNC2=CC=C3NC(C)=[NH+]C3=C2)=CC=C1OCCC(=O)[O-]	REAL300000123407	1	47	0.0	-68.10	395.16	8.56	-59.54
CC1=[NH+]C2=CC(NN=CC3=CC=C(C(=O)[O-])C=C3Cl)=CC=C2N1	REAL300000123408	1	36	0.0	-69.37	321.57	8.76	-60.61
CC1=[NH+]C2=CC(NN=CC3=CC=C(O)C(C(=O)[O-])=C3)=CC=C2N1	REAL300000123409	1	37	0.0	-69.52	322.76	6.28	-63.24
CC1=[NH+]C2=CC(NN=CC3=CC=C(OC(C)C(=O)[O-])C=C3)=CC=C2N1	REAL300000123410	1	43	0.0	-69.01	362.87	9.12	-59.89
CC1=[NH+]C2=CC(NN=CC3=CN(CC(=O)[O-])C4=CC=CC=C34)=CC=C2N1	REAL300000123411	1	43	0.0	-65.72	366.86	10.47	-55.25
CC(=NNC1=CC=C2NC(C)=[NH+]C2=C1)C1=CC=CC(OCCCC(=O)[O-])=C1	REAL300000123412	1	49	0.0	-67.57	401.31	9.97	-57.60
CC(=NNC1=CC=C2NC(C)=[NH+]C2=C1)C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000123415	1	46	0.0	-68.89	376.73	9.67	-59.22
CCC(=NNC1=CC=C2NC(C)=[NH+]C2=C1)C1=CC=C(OCCCCC(=O)[O-])C=C1	REAL300000123417	1	55	0.0	-66.42	444.11	11.47	-54.95
CC(=NNC1=CC=C2NC(C)=[NH+]C2=C1)C1=CSC(C(=O)[O-])=C1	REAL300000123418	1	36	0.0	-68.56	320.38	7.88	-60.68
COC1=CC(C(C)=NNC2=CC=C3NC(C)=[NH+]C3=C2)=CC=C1OCCCC(=O)[O-]	REAL300000123426	1	53	0.0	-72.81	430.48	9.87	-62.94
CC(=NNC1=CC=C2NC(C)=[NH+]C2=C1)C1=C(CC(=O)[O-])C2=CC=C(C)C=C2O1	REAL300000123428	1	48	0.0	-66.68	396.67	10.88	-55.80
CC1=[NH+]C2=CC(NN=CC3=CC(C(=O)[O-])=C(C)C=C3C)=CC=C2N1	REAL300000123429	1	42	0.0	-68.10	342.24	9.57	-58.53
CC1=[NH+]C2=CC(NN=CC3=CC=CC(C(=O)[O-])=C3Cl)=CC=C2N1	REAL300000123430	1	36	0.0	-70.48	317.69	8.66	-61.82
CC1=[NH+]C2=CC(NN=CC3=CC=C(C(=O)[O-])C(F)=C3)=CC=C2N1	REAL300000123431	1	36	0.0	-74.35	318.34	8.26	-66.09
CC1=[NH+]C2=CC(NN=CC3=CC=C(C=CC(=O)[O-])O3)=CC=C2N1	REAL300000123432	1	37	0.0	-75.89	332.29	6.15	-69.74
CC1=[NH+]C2=CC(NN=CC3=CNC4=CC=C(C(=O)[O-])C=C34)=CC=C2N1	REAL300000123433	1	40	0.0	-74.83	342.86	8.23	-66.60
CC1=[NH+]C2=CC(NN=CC3=CC=C(C(=O)[O-])C(O)=C3)=CC=C2N1	REAL300000123434	1	37	0.0	-72.46	322.61	6.29	-66.17
CC1=[NH+]C2=CC(NN=CC3=CC=C(C)C(C(=O)[O-])=C3)=CC=C2N1	REAL300000123435	1	39	0.0	-67.09	329.95	8.77	-58.32
CC1=[NH+]C2=CC(NN=CC3=CC(C(=O)[O-])=C(Cl)S3)=CC=C2N1	REAL300000123436	1	33	0.0	-66.78	319.29	7.79	-58.99
CC1=[NH+]C2=CC(NN=CC3=CC(Cl)=NC=C3C(=O)[O-])=CC=C2N1	REAL300000123437	1	35	0.0	-54.55	320.39	6.68	-47.87
CC1=[NH+]C2=CC(NN=CC3=CC=C(C4=CC=C(O)C(C(=O)[O-])=C4)O3)=CC=C2N1	REAL300000123438	1	44	0.0	-77.26	383.89	8.02	-69.24
CC1=[NH+]C2=CC(NN=CC3=CC(C(=O)[O-])=CC=C3N(C)C)=CC=C2N1	REAL300000123439	1	44	0.0	-67.65	365.37	9.21	-58.44
CC1=[NH+]C2=CC(NN=CC3=CC=C(C4=CC=CC(C(=O)[O-])=C4)S3)=CC=C2N1	REAL300000123440	1	43	0.0	-74.84	382.49	10.94	-63.90
CCC1=CC(C(=O)[O-])=C(C=NNC2=CC=C3NC(C)=[NH+]C3=C2)S1	REAL300000123441	1	39	0.0	-62.47	345.06	8.69	-53.78
COC1=CC=C(C(=O)[O-])C=C1C=NNC1=CC=C2NC(C)=[NH+]C2=C1	REAL300000123442	1	40	0.0	-68.27	341.03	7.88	-60.39
CC1=[NH+]C2=CC(NN=CC3=CSC4=CC=C(C(=O)[O-])C=C34)=CC=C2N1	REAL300000123443	1	39	0.0	-65.74	343.74	9.53	-56.21
CC1=[NH+]C2=CC(NN=CC3=CC(C(=O)[O-])=CC=C3Br)=CC=C2N1	REAL300000123444	1	36	0.0	-64.30	323.91	8.85	-55.45
CC1=[NH+]C2=CC(NN=CC3=CC=C(C)C=C3C(=O)[O-])=CC=C2N1	REAL300000123445	1	39	0.0	-61.95	329.60	8.66	-53.29
COC1=CC(C=NNC2=CC=C3NC(C)=[NH+]C3=C2)=CC=C1C(=O)[O-]	REAL300000123446	1	40	0.0	-77.17	341.10	8.31	-68.86
CC1=[NH+]C2=CC(NN=CC3=C(F)C=C(C(=O)[O-])C=C3F)=CC=C2N1	REAL300000123447	1	36	0.0	-62.00	323.74	8.40	-53.60
CC1=[NH+]C2=CC(NN=CC3=CC=C(OCC4=CC=C(C(=O)[O-])O4)C=C3)=CC=C2N1	REAL300000123449	1	47	0.0	-73.47	408.03	9.99	-63.48
CC1=[NH+]C2=CC(NN=CC3=C(O)C(C(=O)[O-])=CC4=CC=CC=C43)=CC=C2N1	REAL300000123450	1	43	0.0	-71.11	363.32	8.69	-62.42
CC1=[NH+]C2=CC(NN=CC3=CC=C(C4=CC=CC(CC(=O)[O-])=C4)C=C3)=CC=C2N1	REAL300000123451	1	49	0.0	-70.67	410.25	12.42	-58.25
CC1=[NH+]C2=CC(NN=CC3=C(C(=O)[O-])C=C(Cl)S3)=CC=C2N1	REAL300000123452	1	33	0.0	-58.38	318.75	7.72	-50.66
CC1=[NH+]C2=CC(NN=CC3=C(C(=O)[O-])C=CS3)=CC=C2N1	REAL300000123453	1	33	0.0	-61.87	301.73	7.12	-54.75
CC1=[NH+]C2=CC(NN=CC3=CSC(C(=O)[O-])=C3)=CC=C2N1	REAL300000123454	1	33	0.0	-65.82	305.76	7.30	-58.52
CCOC1=CC(C=NNC2=CC=C3NC(C)=[NH+]C3=C2)=CC=C1OCC(=O)[O-]	REAL300000123455	1	47	0.0	-74.25	396.07	9.20	-65.05
CC1=[NH+]C2=CC(NN=CC3=CN(C4CCOCC4)N=C3C(=O)[O-])=CC=C2N1	REAL300000123456	1	47	0.0	-68.70	380.47	7.08	-61.62
COC1=CC=C(C)C(C=NNC2=CC=C3NC(C)=[NH+]C3=C2)=C1C(=O)[O-]	REAL300000123457	1	43	0.0	-67.89	347.89	8.88	-59.01
CC1=[NH+]C2=CC(NN=CC3=C(C(=O)[O-])N(C)C4=CC=C(F)C=C43)=CC=C2N1	REAL300000123458	1	43	0.0	-57.39	364.15	9.61	-47.78
CC1=[NH+]C2=CC(NN=CC3=CC=C(CCC(=O)[O-])O3)=CC=C2N1	REAL300000123459	1	39	0.0	-66.66	339.79	7.98	-58.68
CC1=[NH+]C2=CC(NN=CC3=C(C(=O)[O-])C=C(Br)S3)=CC=C2N1	REAL300000123460	1	33	0.0	-58.39	323.37	7.84	-50.55
CC1=[NH+]C2=CC(NN=CC3=CNC4=C(C(=O)[O-])C=CC=C34)=CC=C2N1	REAL300000123461	1	40	0.0	-71.38	340.55	8.35	-63.03
CC1=[NH+]C2=CC(NN=CC3=CC=C4OC(C(=O)[O-])=CC4=C3)=CC=C2N1	REAL300000123462	1	39	0.0	-71.70	343.25	8.97	-62.73
CC1=[NH+]C2=CC(NN=CC3=CC=CN4C(C(=O)[O-])=CN=C34)=CC=C2N1	REAL300000123463	1	39	0.0	-71.29	338.82	8.52	-62.77
CC1=[NH+]C2=CC(NN=CC3=CC=CC(F)=C3C(=O)[O-])=CC=C2N1	REAL300000123464	1	36	0.0	-65.28	312.75	8.02	-57.26
CC1=[NH+]C2=CC(NN=CC3=CC=CC=C3OCC3=CC=C(C(=O)[O-])O3)=CC=C2N1	REAL300000123465	1	47	0.0	-57.23	398.32	10.04	-47.19
CC1=[NH+]C2=CC(NN=CC3=CC=CC(Br)=C3C(=O)[O-])=CC=C2N1	REAL300000123466	1	36	0.0	-59.51	324.46	8.48	-51.03
CC1=[NH+]C2=CC(NN=CC3=C(C(=O)[O-])C=CC4=C3OCO4)=CC=C2N1	REAL300000123467	1	39	0.0	-58.84	333.41	6.78	-52.06
CC1=[NH+]C2=CC(NN=CC3=CC(C#N)=CC=C3C(=O)[O-])=CC=C2N1	REAL300000123468	1	37	0.0	-54.14	328.97	8.37	-45.77
CC1=[NH+]C2=CC(NN=CC3=CC=C(OCC(=O)[O-])C(Cl)=C3)=CC=C2N1	REAL300000123469	1	40	0.0	-69.75	361.01	9.05	-60.70
CC1=[NH+]C2=CC(NN=CC3=CC=C(S(=O)(=O)NCC(=O)[O-])C=C3)=CC=C2N1	REAL300000123470	1	44	0.0	-68.22	390.19	4.74	-63.48
CC1=NSC(C=NNC2=CC=C3NC(C)=[NH+]C3=C2)=C1C(=O)[O-]	REAL300000123471	1	35	0.0	-56.80	312.85	6.31	-50.49
CC1=[NH+]C2=CC(NN=CC3=C4C=C(C(=O)[O-])SC4=CC=C3F)=CC=C2N1	REAL300000123472	1	39	0.0	-65.32	354.30	9.80	-55.52
COC1=CC(C(=O)[O-])=CC=C1C=NNC1=CC=C2NC(C)=[NH+]C2=C1	REAL300000123473	1	40	0.0	-70.93	340.94	7.86	-63.07
CC1=[NH+]C2=CC(NN=CC3=NN([C@H]4C[C@H](C(=O)[O-])C4)C=C3)=CC=C2N1	REAL300000123474	1	43	0.0	-66.67	361.81	7.75	-58.92
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COC1=CC(C=NNC(=O)C2=CC=C(C[NH+](C)C)C=C2)=CC=C1OCC(=O)[O-]	REAL300000124592	0	51	0.0	-94.61	421.91	9.42	-85.19
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CC(=NNC(=O)C1=CC=C(C[NH+](C)C)C=C1)C1=CC=CC(OCC(=O)[O-])=C1	REAL300000124594	0	50	0.0	-97.74	406.55	10.25	-87.49
C[NH+](C)CC1=CC=C(C(=O)NN=CC2=CC=CC=C2C(=O)[O-])C=C1	REAL300000124595	0	43	0.0	-76.68	355.87	9.13	-67.55
CC(=NNC(=O)C1=CC=C(C[NH+](C)C)C=C1)C1=CC=C(C(=O)[O-])C=C1	REAL300000124596	0	46	0.0	-92.09	375.22	9.91	-82.18
CC(=NNC(=O)C1=CC=C(C[NH+](C)C)C=C1)C1=CC=C(CC(=O)[O-])C=C1	REAL300000124597	0	49	0.0	-89.02	397.65	10.74	-78.28
CC1=C(C(=O)[O-])OC2=C1C(=NNC(=O)C1=CC=C(C[NH+](C)C)C=C1)CCC2	REAL300000124598	0	50	0.0	-97.89	398.47	10.24	-87.65
C[NH+](C)CC1=CC=C(C(=O)NN=CC2=CC=C(OCCC(=O)[O-])C=C2)C=C1	REAL300000124599	0	50	0.0	-88.80	413.64	9.80	-79.00
CC(OC1=CC=CC(C=NNC(=O)C2=CC=C(C[NH+](C)C)C=C2)=C1)C(=O)[O-]	REAL300000124600	0	50	0.0	-84.37	410.64	10.25	-74.12
C[NH+](C)CC1=CC=C(C(=O)NN=CC2=CC=CC(OCCC(=O)[O-])=C2)C=C1	REAL300000124601	0	50	0.0	-83.28	413.68	9.78	-73.50
C[NH+](C)CC1=CC=C(C(=O)NN=CC2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300000124602	0	47	0.0	-83.83	392.72	9.65	-74.18
COC1=CC=C(C=NNC(=O)C2=CC=C(C[NH+](C)C)C=C2)C(OCC(=O)[O-])=C1	REAL300000124603	0	51	0.0	-100.53	415.83	9.87	-90.66
C[NH+](C)CC1=CC=C(C(=O)NN=CC2=CC=C(OC(F)(F)C(=O)[O-])C=C2)C=C1	REAL300000124604	0	47	0.0	-87.71	402.01	9.21	-78.50
COC1=C2OC(C(=O)[O-])=CC2=C(C=NNC(=O)C2=CC=C(C[NH+](C)C)C=C2)C=C1	REAL300000124605	0	50	0.0	-109.04	417.27	9.46	-99.58
C[NH+](C)CC1=CC=C(C(=O)NN=CC2=CC=C(C(=O)[O-])N2)C=C1	REAL300000124606	0	41	0.0	-85.83	348.72	6.97	-78.86
CCC(=NNC(=O)C1=CC=C(C[NH+](C)C)C=C1)C1=CC=C(C(=O)[O-])C=C1	REAL300000124607	0	49	0.0	-91.35	396.70	10.63	-80.72
CC(=NNC(=O)C1=CC=C(C[NH+](C)C)C=C1)C1=CC=CC=C1C(=O)[O-]	REAL300000124608	0	46	0.0	-110.30	373.31	10.20	-100.10
CC(=NNC(=O)C1=CC=C(C[NH+](C)C)C=C1)C1=CC(C(=O)[O-])=CC=C1O	REAL300000124609	0	47	0.0	-83.61	384.16	7.45	-76.16
CCC(=NNC(=O)C1=CC=C(C[NH+](C)C)C=C1)C1=CC(C(=O)[O-])=CC=C1F	REAL300000124610	0	49	0.0	-82.43	401.34	10.82	-71.61
C[NH+](C)CC1=CC=C(C(=O)NN=CC2=C3C=CC(C(=O)[O-])=CC3=NN2)C=C1	REAL300000124611	0	46	0.0	-99.22	386.47	8.07	-91.15
C[NH+](C)CC1=CC=C(C(=O)NN=CC2=NNC3=CC(C(=O)[O-])=CC=C23)C=C1	REAL300000124611	1	46	0.0	-90.36	389.81	7.90	-82.46
CC(=NNC(=O)C1=CC=C(C[NH+](C)C)C=C1)C1=CC=CC(C(=O)[O-])=C1	REAL300000124612	0	46	0.0	-103.26	375.52	9.95	-93.31
C[NH+](C)CC1=CC=C(C(=O)NN=CC2=CN(CC(=O)[O-])N=N2)C=C1	REAL300000124613	0	42	0.0	-95.67	359.48	6.13	-89.54
CC(=NNC(=O)C1=CC=C(C[NH+](C)C)C=C1)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300000124614	0	46	0.0	-92.75	379.83	9.96	-82.79
C[NH+](C)CC1=CC=C(C(=O)NN=CC2=CC(C(=O)[O-])=CS2)C=C1	REAL300000124615	0	40	0.0	-85.30	353.38	8.40	-76.90
COC1=CC(C=NNC(=O)C2=CC=C(C[NH+](C)C)C=C2)=CC=C1OCCC(=O)[O-]	REAL300000124616	0	54	0.0	-91.32	442.91	9.69	-81.63
C[NH+](C)CC1=CC=C(C(=O)NN=CC2=CC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300000124617	0	43	0.0	-90.32	373.74	10.06	-80.26
CC(=NNC(=O)C1=CC=C(C[NH+](C)C)C=C1)C1=CC(C(=O)[O-])=C(C)N=C1C	REAL300000124618	0	51	0.0	-90.74	407.34	9.07	-81.67
C[NH+](C)CC1=CC=C(C(=O)NN=CC2=CC=C(O)C(C(=O)[O-])=C2)C=C1	REAL300000124619	0	44	0.0	-85.18	370.51	7.43	-77.75
CC(=NNC(=O)C1=CC=C(C[NH+](C)C)C=C1)C1=CC(C(=O)[O-])=CC=C1C	REAL300000124620	0	49	0.0	-96.50	396.31	10.37	-86.13
CC(=NNC(=O)C1=CC=C(C[NH+](C)C)C=C1)C1=CC=C(C(=O)[O-])O1	REAL300000124621	0	43	0.0	-85.17	361.72	8.58	-76.59
CC(OC1=CC=C(C=NNC(=O)C2=CC=C(C[NH+](C)C)C=C2)C=C1)C(=O)[O-]	REAL300000124622	0	50	0.0	-90.37	410.56	10.26	-80.11
C[NH+](C)CC1=CC=C(C(=O)NN=C2CCC(C(=O)[O-])C3=CC=CC=C32)C=C1	REAL300000124623	0	50	0.0	-81.62	393.46	10.88	-70.74
C[NH+](C)CC1=CC=C(C(=O)NN=CC2=CN(CC(=O)[O-])C3=CC=CC=C23)C=C1	REAL300000124624	0	50	0.0	-86.03	416.35	11.68	-74.35
CC1=C(C(=O)[O-])C=C(C=NNC(=O)C2=CC=C(C[NH+](C)C)C=C2)N1	REAL300000124625	0	44	0.0	-100.56	366.91	7.63	-92.93
C[NH+](C)CC1=CC=C(C(=O)NN=CC2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300000124626	0	43	0.0	-83.82	361.66	9.38	-74.44
CC(=NNC(=O)C1=CC=C(C[NH+](C)C)C=C1)C1=CC=CC(OCCCC(=O)[O-])=C1	REAL300000124627	0	56	0.0	-95.05	449.01	11.14	-83.91
CC(CCC1=CC=C(OCC(=O)[O-])C=C1)=NNC(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300000124628	0	56	0.0	-92.28	451.63	11.75	-80.53
CC(=NNC(=O)C1=CC=C(C[NH+](C)C)C=C1)C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000124629	0	53	0.0	-98.60	424.25	10.82	-87.78
CC(=NNC(=O)C1=CC=C(C[NH+](C)C)C=C1)C1=CSC(C(=O)[O-])=C1	REAL300000124630	0	43	0.0	-97.83	368.06	9.05	-88.78
C[NH+](C)CC1=CC=C(C(=O)NN=C2CC(C(=O)[O-])(C3=CC=CC=C3)C2)C=C1	REAL300000124631	0	50	0.0	-79.28	403.01	10.89	-68.39
CC(=NNC(=O)C1=CC=C(C[NH+](C)C)C=C1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	REAL300000124632	0	55	0.0	-85.62	418.35	11.17	-74.45
CC(CCCCCCC(=O)[O-])=NNC(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300000124633	0	54	0.0	-88.19	425.81	10.93	-77.26
CC1C(=NNC(=O)C2=CC=C(C[NH+](C)C)C=C2)CCC1CC(=O)[O-]	REAL300000124634	0	49	0.0	-80.14	379.84	9.33	-70.81
CC(=NNC(=O)C1=CC=C(C[NH+](C)C)C=C1)C1=CC(C(=O)[O-])=CS1	REAL300000124635	0	43	0.0	-98.59	368.92	9.07	-89.52
CC1C(=NNC(=O)C2=CC=C(C[NH+](C)C)C=C2)CCC(C(=O)[O-])C1(C)C	REAL300000124636	0	55	0.0	-80.00	401.74	9.82	-70.18
CC1CC(C(=O)[O-])CCC1=NNC(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300000124637	0	49	0.0	-80.90	381.14	9.60	-71.30
CC1CC(=NNC(=O)C2=CC=C(C[NH+](C)C)C=C2)CCC1C(=O)[O-]	REAL300000124638	0	49	0.0	-83.02	379.78	9.42	-73.60
C[NH+](C)CC1=CC=C(C(=O)NN=C2CC(C(=O)[O-])(C3=CC=CC(Cl)=C3)C2)C=C1	REAL300000124639	0	50	0.0	-79.26	417.44	11.36	-67.90
C[NH+](C)CC1=CC=C(C(=O)NN=C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1	REAL300000124640	0	50	0.0	-93.49	398.63	11.06	-82.43
C[NH+](C)CC1=CC=C(C(=O)NN=CC2=CNC(C(=O)[O-])=C2)C=C1	REAL300000124641	0	41	0.0	-83.45	349.34	7.15	-76.30
CC(CC1(C(=O)[O-])CCC1)=NNC(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300000124642	0	49	0.0	-96.82	382.45	9.47	-87.35
CC1=CC(C)=C(C(=O)[O-])C=C1C=NNC(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300000124643	0	49	0.0	-82.17	393.22	10.84	-71.33
C[NH+](C)CC1=CC=C(C(=O)NN=CC2=CC=CC(C(=O)[O-])=C2Cl)C=C1	REAL300000124644	0	43	0.0	-98.82	369.64	9.96	-88.86
C[NH+](C)CC1=CC=C(C(=O)NN=C2CCCCC3=CC(C(=O)[O-])=CC=C32)C=C1	REAL300000124645	0	53	0.0	-73.94	417.54	11.42	-62.52
CN1N=CC(C(=O)[O-])=C1C=NNC(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300000124646	0	43	0.0	-99.15	356.35	7.63	-91.52
C[NH+](C)CC1=CC=C(C(=O)NN=CC2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300000124647	0	43	0.0	-93.07	366.04	9.40	-83.67
C[NH+](C)CC1=CC=C(C(=O)NN=CC2=CC=C(C=CC(=O)[O-])O2)C=C1	REAL300000124648	0	44	0.0	-103.56	380.06	7.31	-96.25
CC(=NNC(=O)C1=CC=C(C[NH+](C)C)C=C1)C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000124649	0	56	0.0	-84.85	442.32	11.14	-73.71
C[NH+](C)CC1=CC=C(C(=O)NN=C2CCC3=CC=CC(C(=O)[O-])=C32)C=C1	REAL300000124650	0	47	0.0	-106.38	378.17	10.67	-95.71
CC(=NNC(=O)C1=CC=C(C[NH+](C)C)C=C1)C1=CN=CC(C(=O)[O-])=C1	REAL300000124651	0	45	0.0	-95.87	370.69	8.16	-87.71
C[NH+](C)CC1=CC=C(C(=O)NN=CC2=CNC3=CC=C(C(=O)[O-])C=C23)C=C1	REAL300000124652	0	47	0.0	-114.13	392.34	9.44	-104.69
C[NH+](C)CC1=CC=C(C(=O)NN=CC2=CC=C(C(=O)[O-])N=C2)C=C1	REAL300000124653	0	42	0.0	-96.03	357.34	7.61	-88.42
C[NH+](C)CC1=CC=C(C(=O)NN=CC2=CC=C(C(=O)[O-])C(O)=C2)C=C1	REAL300000124654	0	44	0.0	-93.14	370.37	7.42	-85.72
CC1=CC=C(C=NNC(=O)C2=CC=C(C[NH+](C)C)C=C2)C=C1C(=O)[O-]	REAL300000124655	0	46	0.0	-84.72	381.70	10.01	-74.71
C[NH+](C)CC1=CC=C(C(=O)NN=CC2=CC(C(=O)[O-])=C(Cl)S2)C=C1	REAL300000124656	0	40	0.0	-84.02	367.04	8.93	-75.09
CC(=NNC(=O)C1=CC=C(C[NH+](C)C)C=C1)C1=CC=C(C(=O)[O-])C=C1C	REAL300000124657	0	49	0.0	-92.49	396.02	10.35	-82.14
C[NH+](C)CC1=CC=C(C(=O)NN=CC2=CC(Cl)=NC=C2C(=O)[O-])C=C1	REAL300000124658	0	42	0.0	-69.10	368.10	7.83	-61.27
CN1N=C(C(=O)[O-])C=C1C=NNC(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300000124659	0	43	0.0	-102.20	364.77	7.00	-95.20
CN1C=C(C(=O)[O-])C=C1C=NNC(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300000124660	0	44	0.0	-103.09	369.60	8.79	-94.30
CN(C)C1=CC=C(C(=O)[O-])C=C1C=NNC(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300000124661	0	51	0.0	-82.05	413.51	10.22	-71.83
CC1=C(C(=O)[O-])C=C(C=NNC(=O)C2=CC=C(C[NH+](C)C)C=C2)O1	REAL300000124662	0	43	0.0	-87.26	363.43	8.17	-79.09
CCC1=CC(C(=O)[O-])=C(C=NNC(=O)C2=CC=C(C[NH+](C)C)C=C2)S1	REAL300000124663	0	46	0.0	-77.36	392.27	9.82	-67.54
COC1=CC=C(C(=O)[O-])C=C1C=NNC(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300000124664	0	47	0.0	-84.49	388.78	9.03	-75.46
C[NH+](C)CC1=CC=C(C(=O)NN=CC2=CSC3=CC=C(C(=O)[O-])C=C23)C=C1	REAL300000124665	0	46	0.0	-105.16	395.21	10.82	-94.34
C[NH+](C)CC1=CC=C(C(=O)NN=C2CCCC3=NC=C(C(=O)[O-])C=C23)C=C1	REAL300000124666	0	49	0.0	-97.68	394.33	9.29	-88.39
C[NH+](C)CC1=CC=C(C(=O)NN=CC2=CC(C(=O)[O-])=CO2)C=C1	REAL300000124667	0	40	0.0	-87.26	345.46	7.45	-79.81
CC1=CC=C(C=NNC(=O)C2=CC=C(C[NH+](C)C)C=C2)C(C(=O)[O-])=C1	REAL300000124668	0	46	0.0	-77.02	377.31	9.81	-67.21
COC1=CC(C=NNC(=O)C2=CC=C(C[NH+](C)C)C=C2)=CC=C1C(=O)[O-]	REAL300000124669	0	47	0.0	-98.21	388.80	9.43	-88.78
C[NH+](C)CC1=CC=C(C(=O)NN=CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1	REAL300000124670	0	43	0.0	-82.84	371.50	9.54	-73.30
CC1=C(C(=O)[O-])NC(C=NNC(=O)C2=CC=C(C[NH+](C)C)C=C2)=C1	REAL300000124671	0	44	0.0	-94.03	366.76	7.54	-86.49
C[NH+](C)CC1=CC=C(C(=O)NN=CC2=C(O)C(C(=O)[O-])=CC3=CC=CC=C32)C=C1	REAL300000124672	0	50	0.0	-100.37	411.03	9.84	-90.53
C[NH+](C)CC1=CC=C(C(=O)NN=CC2=C(C(=O)[O-])C=C(Cl)S2)C=C1	REAL300000124673	0	40	0.0	-73.03	365.95	8.87	-64.16
C[NH+](C)CC1=CC=C(C(=O)NN=CC2=C(C(=O)[O-])C=CS2)C=C1	REAL300000124674	0	40	0.0	-76.75	348.93	8.24	-68.51
C[NH+](C)CC1=CC=C(C(=O)NN=CC2=CSC(C(=O)[O-])=C2)C=C1	REAL300000124675	0	40	0.0	-83.30	353.46	8.43	-74.87
CCOC1=CC(C=NNC(=O)C2=CC=C(C[NH+](C)C)C=C2)=CC=C1OCC(=O)[O-]	REAL300000124676	0	54	0.0	-95.16	443.76	10.33	-84.83
C[NH+](C)CC1=CC=C(C(=O)NN=CC2=CN(C3CCOCC3)N=C2C(=O)[O-])C=C1	REAL300000124677	0	54	0.0	-106.51	432.05	8.40	-98.11
COC1=CC=C(C)C(C=NNC(=O)C2=CC=C(C[NH+](C)C)C=C2)=C1C(=O)[O-]	REAL300000124678	0	50	0.0	-81.32	398.78	10.14	-71.18
CN1C2=CC=C(F)C=C2C(C=NNC(=O)C2=CC=C(C[NH+](C)C)C=C2)=C1C(=O)[O-]	REAL300000124679	0	50	0.0	-75.71	413.42	10.81	-64.90
CC(=NNC(=O)C1=CC=C(C[NH+](C)C)C=C1)C1=C(C(=O)[O-])C2=CC=CC=C2S1	REAL300000124680	0	49	0.0	-92.66	411.52	11.14	-81.52
C[NH+](C)CC1=CC=C(C(=O)NN=CC2=CC=C(CCC(=O)[O-])O2)C=C1	REAL300000124681	0	46	0.0	-92.45	387.49	9.12	-83.33
C[NH+](C)CC1=CC=C(C(=O)NN=CC2=CNC3=C(C(=O)[O-])C=CC=C23)C=C1	REAL300000124682	0	47	0.0	-91.96	389.98	9.56	-82.40
CC(=NNC(=O)C1=CC=C(C[NH+](C)C)C=C1)C1=C(C(=O)[O-])C2=CC=CC=C2N=C1	REAL300000124683	0	51	0.0	-109.36	412.98	10.53	-98.83
C[NH+](C)CC1=CC=C(C(=O)NN=CC2=CC=C3OC(C(=O)[O-])=CC3=C2)C=C1	REAL300000124684	0	46	0.0	-90.08	391.00	10.11	-79.97
C[NH+](C)CC1=CC=C(C(=O)NN=CC2=CC=CN3C(C(=O)[O-])=CN=C23)C=C1	REAL300000124685	0	46	0.0	-84.96	386.57	9.67	-75.29
C[NH+](C)CC1=CC=C(C(=O)NN=CC2=CC=CC(F)=C2C(=O)[O-])C=C1	REAL300000124686	0	43	0.0	-78.91	360.41	9.16	-69.75
C[NH+](C)CC1=CC=C(C(=O)NN=CC2=C(C(=O)[O-])C=CC3=C2OCO3)C=C1	REAL300000124687	0	46	0.0	-98.80	385.64	8.33	-90.47
C[NH+](C)CC1=CC=C(C(=O)NN=CC2=CC(C#N)=CC=C2C(=O)[O-])C=C1	REAL300000124688	0	44	0.0	-70.85	376.67	9.51	-61.34
C[NH+](C)CC1=CC=C(C(=O)NN=CC2=CC=C(OCC(=O)[O-])C(Cl)=C2)C=C1	REAL300000124689	0	47	0.0	-91.83	408.71	10.18	-81.65
CC1=NSC(C=NNC(=O)C2=CC=C(C[NH+](C)C)C=C2)=C1C(=O)[O-]	REAL300000124690	0	42	0.0	-71.56	360.55	7.47	-64.09
C[NH+](C)CC1=CC=C(C(=O)NN=CC2=C3C=C(C(=O)[O-])SC3=CC=C2F)C=C1	REAL300000124691	0	46	0.0	-81.09	402.00	10.95	-70.14
COC1=CC(C(=O)[O-])=CC=C1C=NNC(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300000124692	0	47	0.0	-91.71	388.74	9.00	-82.71
C[NH+](C)CC1=CC=C(C(=O)NN=CC2=NN([C@H]3C[C@H](C(=O)[O-])C3)C=C2)C=C1	REAL300000124693	0	50	0.0	-90.35	409.22	8.90	-81.45
COC1=CC(C=NN(C)C2=CC=[NH+]C=C2)=CC=C1OCC(=O)[O-]	REAL300000125536	1	40	0.0	-74.68	335.15	7.83	-66.85
CN(N=CC1=CC(Br)=CC=C1OCC(=O)[O-])C1=CC=[NH+]C=C1	REAL300000125537	1	36	0.0	-58.75	326.73	8.67	-50.08
CN(N=CC1=CC=CC(OCC2=CC=CC=C2C(=O)[O-])=C1)C1=CC=[NH+]C=C1	REAL300000125538	1	46	0.0	-71.86	378.98	11.05	-60.81
CN(N=CC1=CC=C(OCC(=O)[O-])C([N+](=O)[O-])=C1)C1=CC=[NH+]C=C1	REAL300000125539	1	38	0.0	-80.30	331.92	9.23	-71.07
CC1=C(C(=O)[O-])OC(COC2=CC=C(C=NN(C)C3=CC=[NH+]C=C3)C=C2)=C1	REAL300000125540	1	46	0.0	-75.66	386.93	10.13	-65.53
CN(N=CC1=CC=CC(OCC2=CC=CC(C(=O)[O-])=C2)=C1)C1=CC=[NH+]C=C1	REAL300000125541	1	46	0.0	-75.17	386.19	11.07	-64.10
CN(N=CC1=CC=C(OCC2=C(C(=O)[O-])C=CO2)C=C1)C1=CC=[NH+]C=C1	REAL300000125542	1	43	0.0	-73.52	365.30	9.20	-64.32
COC1=CC=C(C=NN(C)C2=CC=[NH+]C=C2)C(OCC(=O)[O-])=C1	REAL300000125543	1	40	0.0	-63.69	334.55	7.38	-56.31
CN(N=CC1=CC=C(OC(F)(F)C(=O)[O-])C=C1)C1=CC=[NH+]C=C1	REAL300000125544	1	36	0.0	-65.03	315.21	8.24	-56.79
CN(N=CC1=C(Br)C=C(C(=O)[O-])N1C)C1=CC=[NH+]C=C1	REAL300000125545	1	33	0.0	-67.67	293.50	7.57	-60.10
CN(N=CC1=CC=C(OCC(=O)[O-])C(Br)=C1)C1=CC=[NH+]C=C1	REAL300000125546	1	36	0.0	-69.94	326.33	8.70	-61.24
COC1=C2OC(C(=O)[O-])=CC2=C(C=NN(C)C2=CC=[NH+]C=C2)C=C1	REAL300000125547	1	39	0.0	-69.99	326.67	7.75	-62.24
COC1=CC(C=NN(C)C2=CC=[NH+]C=C2)=C([N+](=O)[O-])C=C1OCC(=O)[O-]	REAL300000125548	1	42	0.0	-73.81	357.89	8.22	-65.59
CN(CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1C=NN(C)C1=CC=[NH+]C=C1	REAL300000125549	1	43	0.0	-57.07	367.16	9.14	-47.93
COC1=CC(C=NN(C)C2=CC=[NH+]C=C2)=CC=C1OCCC(=O)[O-]	REAL300000125550	1	43	0.0	-68.46	356.10	8.11	-60.35
CN(N=CC1=CN(CC(=O)[O-])C2=CC=CC=C12)C1=CC=[NH+]C=C1	REAL300000125551	1	39	0.0	-65.83	327.99	10.03	-55.80
CN(N=CC1=CC=CC(OC(C(=O)[O-])C2=CC=CC=C2)=C1)C1=CC=[NH+]C=C1	REAL300000125552	1	46	0.0	-71.68	383.71	11.73	-59.95
CN(N=CC1=CC=C(C2=CC=C(C(=O)[O-])C=C2)C=C1)C1=CC=[NH+]C=C1	REAL300000125553	1	42	0.0	-75.92	348.75	11.17	-64.75
COC1=CC(C=NN(C)C2=CC=[NH+]C=C2)=CC(Cl)=C1OC(C)C(=O)[O-]	REAL300000125554	1	43	0.0	-78.23	368.52	8.98	-69.25
CN(N=CC1=CC=C(C2=CC=C(O)C(C(=O)[O-])=C2)O1)C1=CC=[NH+]C=C1	REAL300000125555	1	40	0.0	-74.71	344.81	7.57	-67.14
CN(N=CC1=CC=C(C2=CC=C(C(=O)[O-])C=C2)S1)C1=CC=[NH+]C=C1	REAL300000125556	1	39	0.0	-74.49	343.12	10.45	-64.04
CN(N=CC1=CC=C(C2=CC=CC(C(=O)[O-])=C2)S1)C1=CC=[NH+]C=C1	REAL300000125557	1	39	0.0	-73.71	343.41	10.49	-63.22
CN(N=CC1=CSC2=CC=C(C(=O)[O-])C=C12)C1=CC=[NH+]C=C1	REAL300000125558	1	35	0.0	-58.96	304.69	9.09	-49.87
CN(N=CC1=CC(C(=O)[O-])=CC=C1Br)C1=CC=[NH+]C=C1	REAL300000125559	1	32	0.0	-64.18	284.94	8.42	-55.76
COC1=CC(Br)=CC(C=NN(C)C2=CC=[NH+]C=C2)=C1OCC(=O)[O-]	REAL300000125561	1	40	0.0	-63.77	359.87	8.55	-55.22
CN(N=CC1=CC=C(OCC2=CC=C(C(=O)[O-])O2)C=C1)C1=CC=[NH+]C=C1	REAL300000125562	1	43	0.0	-74.73	368.95	9.54	-65.19
CN(N=CC1=CC(I)=CC(C(=O)[O-])=C1)C1=CC=[NH+]C=C1	REAL300000125563	1	32	0.0	-64.90	302.67	8.87	-56.03
CN(N=CC1=C(O)C(C(=O)[O-])=CC2=CC=CC=C21)C1=CC=[NH+]C=C1	REAL300000125564	1	39	0.0	-68.87	324.25	8.26	-60.61
CN(N=CC1=CC=C(C2=CC=CC(CC(=O)[O-])=C2)C=C1)C1=CC=[NH+]C=C1	REAL300000125565	1	45	0.0	-70.88	371.18	11.98	-58.90
CCOC1=CC(C=NN(C)C2=CC=[NH+]C=C2)=CC=C1OCC(=O)[O-]	REAL300000125566	1	43	0.0	-75.17	357.01	8.75	-66.42
CN(N=CC1=CN(C2CCOCC2)N=C1C(=O)[O-])C1=CC=[NH+]C=C1	REAL300000125567	1	43	0.0	-61.87	340.15	6.60	-55.27
CN(N=CC1=C(C(=O)[O-])N(C)C2=CC=C(F)C=C21)C1=CC=[NH+]C=C1	REAL300000125568	1	39	0.0	-56.10	325.66	9.14	-46.96
CN(N=CC1=C(C(=O)[O-])C=C(Br)S1)C1=CC=[NH+]C=C1	REAL300000125569	1	29	0.0	-58.36	284.31	7.41	-50.95
CN(N=CC1=CC=CC=C1OCC1=CC=C(C(=O)[O-])O1)C1=CC=[NH+]C=C1	REAL300000125570	1	43	0.0	-50.96	360.34	9.64	-41.32
CN(N=CC1=CC=CC(Br)=C1C(=O)[O-])C1=CC=[NH+]C=C1	REAL300000125571	1	32	0.0	-59.27	285.75	8.05	-51.22
COC1=CC(OC)=C2C(=C1)NC(C(=O)[O-])=C2C=NN(C)C1=CC=[NH+]C=C1	REAL300000125572	1	44	0.0	-66.12	365.85	4.72	-61.40
CN(N=CC1=CC=C(OCC(=O)[O-])C(Cl)=C1)C1=CC=[NH+]C=C1	REAL300000125573	1	36	0.0	-70.46	321.95	8.59	-61.87
CN(N=CC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1)C1=CC=[NH+]C=C1	REAL300000125574	1	40	0.0	-69.12	351.13	4.28	-64.84
CN(N=CC1=C2C=C(C(=O)[O-])SC2=CC=C1F)C1=CC=[NH+]C=C1	REAL300000125575	1	35	0.0	-65.56	315.23	9.37	-56.19
CC[NH+](CC)CC1=CC(C(C)=NNC2=CC=C(C(=O)[O-])N=C2)=CC=C1O	REAL300000126169	0	50	0.0	-75.12	390.84	7.47	-67.65
CC(=NNC1=CC=C(C(=O)[O-])N=C1)C1=CC=C(O)C(C[NH+]2CCCCC2)=C1	REAL300000126171	0	51	0.0	-73.05	402.36	8.20	-64.85
COC1=CC=C(C(C)=NNC2=CC=C(C(=O)[O-])N=C2)C=C1C[NH+]1CCCCC1	REAL300000126320	0	54	0.0	-70.72	415.74	10.41	-60.31
COC1=CC=C(C(C)=NNC2=CC=C(C(=O)[O-])N=C2)C=C1C[NH+]1CCCC1	REAL300000126321	0	51	0.0	-70.60	405.25	9.50	-61.10
CC[NH+](CC)CCN1C(=O)C(=NNC2=CC=C(C(=O)[O-])N=C2)C2=CC=CC=C21	REAL300000126422	0	51	0.0	-82.53	411.17	9.90	-72.63
O=C([O-])C1=CC=C(N=NC2CC[N@H+](CC3=CC=CC=C3)C2)C=N1	REAL300000126514	0	41	0.0	-74.80	338.80	7.64	-67.16
O=C([O-])C1=CC=C(N=NC2CC[N@@H+](CC3=CC=CC=C3)C2)C=N1	REAL300000126514	1	41	0.0	-75.14	340.39	7.72	-67.42
O=C([O-])C1=CC=C(NN=CC2=CC=C(OCC[NH+]3CCCC3)C=C2)C=N1	REAL300000126553	0	48	0.0	-81.48	390.11	9.50	-71.98
CC[N@@H+]1CCCC1CN1C(C)=CC(C=NNC2=CC=C(C(=O)[O-])N=C2)=C1C	REAL300000126556	0	54	0.0	-80.50	411.09	10.54	-69.96
CC[N@H+]1CCCC1CN1C(C)=CC(C=NNC2=CC=C(C(=O)[O-])N=C2)=C1C	REAL300000126556	1	54	0.0	-72.13	418.50	9.90	-62.23
CC[N@@H+]1CCCC1CN1C(C)=CC(CN=NC2=CC=C(C(=O)[O-])N=C2)=C1C	REAL300000126556	1	54	0.0	-75.03	417.62	9.28	-65.75
CC[N@H+]1CCCC1CN1C(C)=CC(CN=NC2=CC=C(C(=O)[O-])N=C2)=C1C	REAL300000126556	1	54	0.0	-75.03	417.62	9.28	-65.75
CC1=CC(CN=NC2=CC=C(C(=O)[O-])N=C2)=C(C)N1CCN1CCOCC1	REAL300000126586	1	52	0.0	-85.86	412.47	8.87	-76.99
CC1=CC(C=NNC2=CC=C(C(=O)[O-])N=C2)=C(C)N1CC[NH+]1CCOCC1	REAL300000126586	1	52	0.0	-81.76	418.07	7.57	-74.19
CC1=CC(CN=NC2=CC=C(C(=O)[O-])N=C2)=C(C)N1CC[NH+]1CCOCC1	REAL300000126586	1	52	0.0	-81.76	418.07	7.57	-74.19
C[NH+](C)CCOC1=CC=C(C=NNC2=CC=C(C(=O)[O-])N=C2)C=C1	REAL300000126608	0	44	0.0	-81.98	366.56	8.21	-73.77
CN1CCN(C2=CC=C(C=NNC3=CC=C(C(=O)[O-])N=C3)C=C2F)CC1	REAL300000126639	0	46	0.0	-90.25	380.44	7.92	-82.33
C[NH+]1CCN(C2=CC=C(C=NNC3=CC=C(C(=O)[O-])N=C3)C=C2F)CC1	REAL300000126639	1	46	0.0	-90.25	380.44	7.92	-82.33
CC(=NNC1=CC=C(C(=O)[O-])N=C1)C1=CC=CC(OCC[NH+](C)C)=C1	REAL300000126681	0	47	0.0	-77.36	380.42	8.75	-68.61
CC(=NNC1=CC=C(C(=O)[O-])N=C1)C1=CC=C(O)C(CN2CCOCC2)=C1	REAL300000126683	0	49	0.0	-78.37	392.69	5.89	-72.48
CC(=NNC1=CC=C(C(=O)[O-])N=C1)C1=CC=C(O)C(C[NH+]2CCOCC2)=C1	REAL300000126683	1	49	0.0	-78.37	392.69	5.89	-72.48
CC(=NNC1=CC=C(C(=O)[O-])N=C1)C1=CC=C(OCC[NH+](C)C)C=C1	REAL300000126714	0	47	0.0	-85.28	380.37	8.76	-76.52
COC(=O)CCC[NH+]1CCC(N=NC2=CC=C(C(=O)[O-])N=C2)CC1	REAL300000126762	0	46	0.0	-83.61	374.79	7.00	-76.61
O=C([O-])C1=CC=C(N=NC2CC[NH+](CCN3CCOCC3)CC2)C=N1	REAL300000126837	0	50	0.0	-79.79	386.17	3.89	-75.90
CC1C[N@H+](CC2=CC=CC=N2)CCC1N=NC1=CC=C(C(=O)[O-])N=C1	REAL300000126906	0	46	0.0	-76.57	365.55	7.67	-68.90
CCOCCC[N@@H+]1CCC(N=NC2=CC=C(C(=O)[O-])N=C2)C(C)C1	REAL300000126918	0	50	0.0	-73.47	392.59	7.18	-66.29
CCOCCC[N@H+]1CCC(N=NC2=CC=C(C(=O)[O-])N=C2)C(C)C1	REAL300000126918	1	50	0.0	-73.47	392.59	7.18	-66.29
CC(N=NC1=CC=C(C(=O)[O-])N=C1)C1CN(CC2=CC=CC=C2)CCO1	REAL300000126933	0	48	0.0	-73.30	377.77	7.26	-66.04
CC(N=NC1=CC=C(C(=O)[O-])N=C1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300000126933	1	48	0.0	-72.43	388.13	7.78	-64.65
CC(N=NC1=CC=C(C(=O)[O-])N=C1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300000126933	1	48	0.0	-72.43	388.13	7.78	-64.65
C[N@H+](CC1=CC=CC=C1)CC(C)(C)CN=NC1=CC=C(C(=O)[O-])N=C1	REAL300000126982	0	49	0.0	-78.64	382.99	9.36	-69.28
C[N@@H+](CC1=CC=CC=C1)CC(C)(C)CN=NC1=CC=C(C(=O)[O-])N=C1	REAL300000126982	1	49	0.0	-78.64	382.99	9.36	-69.28
O=C([O-])C1=CC=C(N=NC2CCCCC2[NH+]2CCCCCC2)C=N1	REAL300000126989	0	50	0.0	-64.83	358.24	7.71	-57.12
CC1CC(C)C[NH+](C2CCCCC2N=NC2=CC=C(C(=O)[O-])N=C2)C1	REAL300000126993	0	53	0.0	-65.26	386.73	8.94	-56.32
O=C([O-])C1=CC=C(N=NCC2(C[NH+]3CCOCC3)CCCCC2)C=N1	REAL300000127001	0	51	0.0	-80.53	374.97	6.73	-73.80
CC1C[N@H+](CC2=CC=CC=C2)CC1N=NC1=CC=C(C(=O)[O-])N=C1	REAL300000127015	0	44	0.0	-75.07	359.79	8.66	-66.41
CC1C[N@@H+](CC2=CC=CC=C2)CC1N=NC1=CC=C(C(=O)[O-])N=C1	REAL300000127015	1	44	0.0	-74.51	362.41	8.36	-66.15
O=C([O-])C1=CC=C(N=NC2CCCCC2[NH+]2CCCCC2)C=N1	REAL300000127029	0	47	0.0	-68.43	352.88	8.22	-60.21
C[NH+]1CCN(C2=NC=C(C=NNC3=CC=C(C(=O)[O-])N=C3)C=N2)CC1	REAL300000127036	1	44	0.0	-84.81	364.69	7.19	-77.62
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1N=NC1=CC=C(C(=O)[O-])N=C1	REAL300000127077	0	50	0.0	-78.99	385.31	9.81	-69.18
CC1CC(N=NC2=CC=C(C(=O)[O-])N=C2)C[N@@H+]1CC1=CC=CC=C1	REAL300000127107	0	44	0.0	-72.73	360.64	8.36	-64.37
CC1CC(N=NC2=CC=C(C(=O)[O-])N=C2)C[N@H+]1CC1=CC=CC=C1	REAL300000127107	1	44	0.0	-74.21	359.22	8.27	-65.94
O=C([O-])C1=CC=C(N=NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2=CC=CC=C2)C=N1	REAL300000127144	0	48	0.0	-72.40	353.62	9.45	-62.95
O=C([O-])C1=CC=C(N=NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2=CC=CC=C2)C=N1	REAL300000127144	1	48	0.0	-74.27	372.90	8.98	-65.29
O=C([O-])C1=CC=C(N=NC2CCCC3C[N@H+](CC4=CC=CC=C4)CC32)C=N1	REAL300000127210	0	51	0.0	-73.76	398.29	10.25	-63.51
O=C([O-])C1=CC=C(N=NC2CCCC3C[N@@H+](CC4=CC=CC=C4)CC32)C=N1	REAL300000127210	1	51	0.0	-73.75	397.97	10.25	-63.50
C[NH+]1CCN(C2=CC=C(C=NNC3=CC=C(C(=O)[O-])N=C3)C=C2)CC1	REAL300000127234	0	46	0.0	-84.63	370.38	7.61	-77.02
CC1CC[N@H+](CC2=CC=CC=C2)CC1N=NC1=CC=C(C(=O)[O-])N=C1	REAL300000127244	0	47	0.0	-73.77	374.39	9.41	-64.36
CC1CC[N@@H+](CC2=CC=CC=C2)CC1N=NC1=CC=C(C(=O)[O-])N=C1	REAL300000127244	1	47	0.0	-73.78	374.34	9.41	-64.37
C[NH+]1CCC2(CC1)CC(=NNC1=CC=C(C(=O)[O-])N=C1)C1=CC=CC=C1O2	REAL300000127291	0	49	0.0	-85.68	384.22	9.26	-76.42
CC1CC(N=NC2=CC=C(C(=O)[O-])N=C2)C[N@H+](CC2=CC=CC=C2)C1	REAL300000127321	0	47	0.0	-74.45	375.60	9.28	-65.17
CC1CC(N=NC2=CC=C(C(=O)[O-])N=C2)C[N@@H+](CC2=CC=CC=C2)C1	REAL300000127321	1	47	0.0	-76.85	377.96	8.96	-67.89
O=C([O-])C1=CC=C(N=NC2CC[NH+](CCC(F)(F)F)CC2)C=N1	REAL300000127344	0	40	0.0	-82.49	337.46	6.58	-75.91
CC(N=NC1=CC=C(C(=O)[O-])N=C1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300000127345	0	47	0.0	-70.01	376.38	9.24	-60.77
CC(N=NC1=CC=C(C(=O)[O-])N=C1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300000127345	1	47	0.0	-69.96	378.30	9.23	-60.73
C[N@H+](CC1=CC=CC=C1)C1CCC(N=NC2=CC=C(C(=O)[O-])N=C2)CC1	REAL300000127446	0	50	0.0	-72.42	389.11	9.81	-62.61
C[N@@H+](CC1=CC=CC=C1)C1CCC(N=NC2=CC=C(C(=O)[O-])N=C2)CC1	REAL300000127446	1	50	0.0	-72.34	389.12	9.82	-62.52
O=C([O-])C1=CC=C(N=NC2CC[N@H+](CC3=CC=CC=C3)C3CCCC32)C=N1	REAL300000127612	0	51	0.0	-70.24	384.29	9.73	-60.51
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CC(NN=CC1=CC=C(CC[NH+](C)C)C=C1)C1=CC=C(C(=O)[O-])C=C1	REAL300000135692	0	50	0.0	-78.92	405.03	11.77	-67.15
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CC(NN=C1CCC2CCC(C1)[N@@H+]2CC1=CC=CC=C1)C1=CC=C(C(=O)[O-])C=C1	REAL300000136019	0	58	0.0	-72.42	418.69	12.55	-59.87
CC(NN=C1CCC2CCC(C1)[N@H+]2CC1=CC=CC=C1)C1=CC=C(C(=O)[O-])C=C1	REAL300000136019	1	58	0.0	-72.45	419.23	12.34	-60.11
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CC(C)C1=[NH+]C(C=C(CC(=O)[O-])C2=NC3=CC=CC=C3S2)=C2C=CC=CN21	REAL300000142306	1	46	0.0	-45.14	385.81	13.54	-31.60
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CCN(C)C1=CC=C(C=C(CC(=O)[O-])C2=NC3=CC=CC=C3S2)C=[NH+]1	REAL300000142396	1	44	0.0	-60.82	365.17	11.16	-49.66
CC(C)N(C)C1=CC=C(C=C(CC(=O)[O-])C2=NC3=CC=CC=C3S2)C=[NH+]1	REAL300000142468	1	47	0.0	-59.05	381.33	11.68	-47.37
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CN(CCO)C1=CC=C(C=C(CC(=O)[O-])C2=NC3=CC=CC=C3S2)C=[NH+]1	REAL300000142862	1	45	0.0	-59.64	373.22	8.12	-51.52
COC1=CC(C)=[NH+]C=C1C=C(CC(=O)[O-])C1=NC2=CC=CC=C2S1	REAL300000142967	1	40	0.0	-49.30	342.55	8.58	-40.72
CC(C)N(C)C1=CC=C(C=C2CCC3=C(C(=O)[O-])C4=CC=CC=C4N=C23)C=[NH+]1	REAL300000143811	1	51	0.0	-62.76	390.85	13.43	-49.33
COCCN(C)C1=CC=C(C=C2CCC3=C(C(=O)[O-])C4=CC=CC=C4N=C23)C=[NH+]1	REAL300000143812	1	52	0.0	-63.64	403.95	11.98	-51.66
NC1=CC=C(C=C2CCC3=C(C(=O)[O-])C4=CC=CC=C4N=C23)C=[NH+]1	REAL300000143856	0	39	0.0	-67.75	316.71	9.20	-58.55
CN(CCO)C1=CC=C(C=C2CCC3=C(C(=O)[O-])C4=CC=CC=C4N=C23)C=[NH+]1	REAL300000144097	1	49	0.0	-63.38	383.16	9.84	-53.54
COC1=CC(C)=[NH+]C=C1C=C1CCC2=C(C(=O)[O-])C3=CC=CC=C3N=C12	REAL300000144171	1	44	0.0	-65.19	352.77	10.38	-54.81
CC(C)(C)C1CC(=CC2=CC=C(N)[NH+]=C2)C2=NC3=CC=CC=C3C(C(=O)[O-])=C2C1	REAL300000144256	0	54	0.0	-80.42	406.99	12.25	-68.17
CN1CC(=CC2=CC=C(N)[NH+]=C2)C2=NC3=CC=CC=C3C(C(=O)[O-])=C2C1	REAL300000144748	0	44	0.0	-71.00	355.05	7.52	-63.48
COC1=CC(C)=[NH+]C=C1C=C1CN(C)CC2=C(C(=O)[O-])C3=CC=CC=C3N=C12	REAL300000144944	1	49	0.0	-67.73	390.28	8.76	-58.97
CC(C)C1=[NH+]C(C=C(CCC(=O)[O-])C2=NC3=CC=CC=C3S2)=C2C=CC=CN21	REAL300000145453	1	49	0.0	-50.28	401.28	14.22	-36.06
CCN(C)C1=CC=C(C=C(CCC(=O)[O-])C2=NC3=CC=CC=C3S2)C=[NH+]1	REAL300000145534	1	47	0.0	-51.33	385.36	11.76	-39.57
CC(C)N(C)C1=CC=C(C=C(CCC(=O)[O-])C2=NC3=CC=CC=C3S2)C=[NH+]1	REAL300000145598	1	50	0.0	-50.71	401.18	12.27	-38.44
COCCN(C)C1=CC=C(C=C(CCC(=O)[O-])C2=NC3=CC=CC=C3S2)C=[NH+]1	REAL300000145600	1	51	0.0	-50.75	416.73	10.91	-39.84
C[NH+](C)CC1=CN=C(C=C(CCC(=O)[O-])C2=NC3=CC=CC=C3S2)S1	REAL300000145606	0	44	0.0	-76.51	382.52	11.21	-65.30
NC1=CC=C(C=C(CCC(=O)[O-])C2=NC3=CC=CC=C3S2)C=[NH+]1	REAL300000145653	0	38	0.0	-53.93	326.95	8.07	-45.86
O=C([O-])CCC(=CC1=CC=NN1C1=CC=[NH+]C=C1)C1=NC2=CC=CC=C2S1	REAL300000145750	1	43	0.0	-79.60	368.55	10.35	-69.25
CN(CCO)C1=CC=C(C=C(CCC(=O)[O-])C2=NC3=CC=CC=C3S2)C=[NH+]1	REAL300000145956	1	48	0.0	-50.78	394.48	8.51	-42.27
COC1=CC(C)=[NH+]C=C1C=C(CCC(=O)[O-])C1=NC2=CC=CC=C2S1	REAL300000146052	1	43	0.0	-50.67	362.86	9.27	-41.40
CC(C)N(C)C1=CC=C(C=C(Cl)C2=NC(=O)C3=CC=C(C(=O)[O-])C=C3N2)C=[NH+]1	REAL300000146529	1	47	0.0	-65.79	392.53	9.89	-55.90
NC1=CC=C(C=C(Cl)C2=NC(=O)C3=CC=C(C(=O)[O-])C=C3N2)C=[NH+]1	REAL300000146559	1	35	0.0	-70.33	318.26	5.67	-64.66
COC1=CC(C)=[NH+]C=C1C=C(Cl)C1=NC(=O)C2=CC=C(C(=O)[O-])C=C2N1	REAL300000146773	1	40	0.0	-69.14	354.24	6.87	-62.27
CC(C)C1=[NH+]C(C=C(C#N)C(=O)NC2=CC=C(C(=O)[O-])C=C2)=C2C=CC=CN21	REAL300000149287	1	46	0.0	-71.75	390.34	11.60	-60.15
C[NH+]1CCN(C2=CC=C(C=C(C#N)C(=O)NC3=CC=C(C(=O)[O-])C=C3)C=C2)CC1	REAL300000149338	0	51	0.0	-84.16	410.53	9.39	-74.77
CCN(C)C1=CC=C(C=C(C#N)C(=O)NC2=CC=C(C(=O)[O-])C=C2)C=[NH+]1	REAL300000149380	1	44	0.0	-77.31	369.95	9.49	-67.82
CC(C)N(C)C1=CC=C(C=C(C#N)C(=O)NC2=CC=C(C(=O)[O-])C=C2)C=[NH+]1	REAL300000149453	1	47	0.0	-72.05	387.55	9.90	-62.15
COCCN(C)C1=CC=C(C=C(C#N)C(=O)NC2=CC=C(C(=O)[O-])C=C2)C=[NH+]1	REAL300000149455	1	48	0.0	-73.56	403.02	8.57	-64.99
C[NH+](C)CC1=CN=C(C=C(C#N)C(=O)NC2=CC=C(C(=O)[O-])C=C2)S1	REAL300000149462	1	41	0.0	-85.96	365.33	8.23	-77.73
N#CC(=CC1=CC=C(N)[NH+]=C1)C(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300000149513	1	35	0.0	-81.92	311.56	5.79	-76.13
N#CC(=CC1=CC=NN1C1=CC=[NH+]C=C1)C(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300000149618	1	40	0.0	-79.50	352.63	7.98	-71.52
CN(CCO)C1=CC=C(C=C(C#N)C(=O)NC2=CC=C(C(=O)[O-])C=C2)C=[NH+]1	REAL300000149846	1	45	0.0	-73.88	380.80	6.16	-67.72
COC1=CC(C)=[NH+]C=C1C=C(C#N)C(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300000149951	1	40	0.0	-74.04	348.22	6.92	-67.12
COC1=CC=C(C(=O)C=CC2=C3C=CC=CN3C(C(C)C)=[NH+]2)C=C1CC(=O)[O-]	REAL300000151575	1	50	0.0	-76.64	410.75	12.84	-63.80
COC1=CC=C(C(=O)C=CC2=CC=C(N3CC[NH+](C)CC3)C=C2)C=C1CC(=O)[O-]	REAL300000151625	0	55	0.0	-90.35	430.08	11.00	-79.35
CCN(C)C1=CC=C(C=CC(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)C=[NH+]1	REAL300000151666	1	48	0.0	-80.77	389.76	11.06	-69.71
COC1=CC=C(C(=O)C=CC2=CC=C(N(C)C(C)C)[NH+]=C2)C=C1CC(=O)[O-]	REAL300000151738	1	51	0.0	-80.30	405.94	11.56	-68.74
COCCN(C)C1=CC=C(C=CC(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)C=[NH+]1	REAL300000151740	1	52	0.0	-82.38	421.15	10.22	-72.16
COC1=CC=C(C(=O)C=CC2=NC=C(C[NH+](C)C)S2)C=C1CC(=O)[O-]	REAL300000151747	1	45	0.0	-86.57	384.97	9.35	-77.22
COC1=CC=C(C(=O)C=CC2=CC=C(N)[NH+]=C2)C=C1CC(=O)[O-]	REAL300000151799	0	39	0.0	-85.17	331.38	7.36	-77.81
COC1=CC=C(C(=O)C=CC2=CC=NN2C2=CC=[NH+]C=C2)C=C1CC(=O)[O-]	REAL300000151905	1	44	0.0	-80.36	375.42	9.61	-70.75
COC1=CC=C(C(=O)C=CC2=CC=C(N(C)CCO)[NH+]=C2)C=C1CC(=O)[O-]	REAL300000152129	1	49	0.0	-82.87	398.90	7.82	-75.05
COC1=CC=C(C(=O)C=CC2=C[NH+]=C(C)C=C2OC)C=C1CC(=O)[O-]	REAL300000152234	1	44	0.0	-86.60	366.71	8.58	-78.02
CCN(C)C1=CC=C(C=C2CCN3C2=NC2=CC(C(=O)[O-])=CC=C2C3=O)C=[NH+]1	REAL300000153063	1	48	0.0	-64.90	386.25	12.10	-52.80
CC(C)N(C)C1=CC=C(C=C2CCN3C2=NC2=CC(C(=O)[O-])=CC=C2C3=O)C=[NH+]1	REAL300000153117	1	51	0.0	-65.29	401.76	12.66	-52.63
C[NH+](C)CC1=CN=C(C=C2CCN3C2=NC2=CC(C(=O)[O-])=CC=C2C3=O)S1	REAL300000153122	0	45	0.0	-71.06	378.50	11.42	-59.64
NC1=CC=C(C=C2CCN3C2=NC2=CC(C(=O)[O-])=CC=C2C3=O)C=[NH+]1	REAL300000153164	0	39	0.0	-59.21	327.82	8.28	-50.93
O=C([O-])C1=CC=C2C(=O)N3CCC(=CC4=CC=NN4C4=CC=[NH+]C=C4)C3=NC2=C1	REAL300000153252	1	44	0.0	-78.02	369.30	10.41	-67.61
CN(CCO)C1=CC=C(C=C2CCN3C2=NC2=CC(C(=O)[O-])=CC=C2C3=O)C=[NH+]1	REAL300000153433	1	49	0.0	-68.67	395.36	8.85	-59.82
COC1=CC(C)=[NH+]C=C1C=C1CCN2C1=NC1=CC(C(=O)[O-])=CC=C1C2=O	REAL300000153504	1	44	0.0	-55.44	363.87	9.48	-45.96
C[NH+]1CCN(C2=CC=C(C=CC(=O)C3=CC=CC(OCC(=O)[O-])=C3)C=C2F)CC1	REAL300000153771	1	52	0.0	-85.58	420.99	11.45	-74.13
CC(C)C1=[NH+]C(C=CC(=O)C2=CC=CC(OCC(=O)[O-])=C2)=C2C=CC=CN21	REAL300000153950	1	47	0.0	-75.31	391.42	12.99	-62.32
C[NH+]1CCN(C2=CC=C(C=CC(=O)C3=CC=CC(OCC(=O)[O-])=C3)C=C2)CC1	REAL300000154004	0	52	0.0	-87.90	410.77	11.14	-76.76
CCN(C)C1=CC=C(C=CC(=O)C2=CC=CC(OCC(=O)[O-])=C2)C=[NH+]1	REAL300000154047	1	45	0.0	-79.81	370.46	11.20	-68.61
CC(C)N(C)C1=CC=C(C=CC(=O)C2=CC=CC(OCC(=O)[O-])=C2)C=[NH+]1	REAL300000154126	1	48	0.0	-79.36	386.63	11.72	-67.64
COCCN(C)C1=CC=C(C=CC(=O)C2=CC=CC(OCC(=O)[O-])=C2)C=[NH+]1	REAL300000154129	1	49	0.0	-81.58	401.84	10.36	-71.22
C[NH+](C)CC1=CN=C(C=CC(=O)C2=CC=CC(OCC(=O)[O-])=C2)S1	REAL300000154139	1	42	0.0	-83.69	366.07	9.44	-74.25
O=C([O-])COC1=CC=CC(C(=O)C=CC2=CC=NN2C2=CC=[NH+]C=C2)=C1	REAL300000154304	1	41	0.0	-78.35	356.36	9.76	-68.59
CN(CCO)C1=CC=C(C=CC(=O)C2=CC=CC(OCC(=O)[O-])=C2)C=[NH+]1	REAL300000154563	1	46	0.0	-82.00	379.58	7.96	-74.04
COC1=CC(C)=[NH+]C=C1C=CC(=O)C1=CC=CC(OCC(=O)[O-])=C1	REAL300000154678	1	41	0.0	-85.65	347.41	8.72	-76.93
CC(C)C1=[NH+]C(C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)[O-])=C2C=CC=CN21	REAL300000155400	1	46	0.0	-65.82	386.21	11.94	-53.88
C[NH+]1CCN(C2=CC=C(C=C(C#N)C(=O)NC3=CC=CC=C3C(=O)[O-])C=C2)CC1	REAL300000155451	0	51	0.0	-82.28	405.08	9.74	-72.54
CCN(C)C1=CC=C(C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)[O-])C=[NH+]1	REAL300000155493	1	44	0.0	-63.75	365.89	9.77	-53.98
CC(C)N(C)C1=CC=C(C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)[O-])C=[NH+]1	REAL300000155566	1	47	0.0	-63.25	381.73	10.28	-52.97
COCCN(C)C1=CC=C(C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)[O-])C=[NH+]1	REAL300000155568	1	48	0.0	-63.97	397.28	8.93	-55.04
C[NH+](C)CC1=CN=C(C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)[O-])S1	REAL300000155575	1	41	0.0	-84.83	361.03	8.58	-76.25
N#CC(=CC1=CC=C(N)[NH+]=C1)C(=O)NC1=CC=CC=C1C(=O)[O-]	REAL300000155626	1	35	0.0	-67.50	307.52	6.08	-61.42
N#CC(=CC1=CC=NN1C1=CC=[NH+]C=C1)C(=O)NC1=CC=CC=C1C(=O)[O-]	REAL300000155731	1	40	0.0	-77.48	347.79	8.36	-69.12
CN(CCO)C1=CC=C(C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)[O-])C=[NH+]1	REAL300000155959	1	45	0.0	-64.20	375.02	6.53	-57.67
COC1=CC(C)=[NH+]C=C1C=C(C#N)C(=O)NC1=CC=CC=C1C(=O)[O-]	REAL300000156064	1	40	0.0	-64.28	343.72	7.30	-56.98
NC1=CC=C(C=CC(=O)C2=CC=CC(S(=O)(=O)NCCC(=O)[O-])=C2)C=[NH+]1	REAL300000157252	0	43	0.0	-80.01	379.31	4.34	-75.67
NC1=CC=C(C=C(CC(=O)[O-])C2=NC3=CC(C(F)(F)F)=CC=C3S2)C=[NH+]1	REAL300000158148	0	38	0.0	-54.09	345.67	8.51	-45.58
NC1=CC=C(C=CC(=O)C2=CC=C(S(=O)(=O)NCC(=O)[O-])C=C2)C=[NH+]1	REAL300000159151	0	40	0.0	-74.62	357.23	3.72	-70.90
COC1=CC(C)=[NH+]C=C1C=CC(=O)C1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1	REAL300000159311	1	45	0.0	-75.40	392.57	4.94	-70.46
NC1=CC=C(C=CC(=O)C2=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C2)C=[NH+]1	REAL300000159667	0	43	0.0	-70.83	379.29	4.35	-66.48
NC1=CC=C(C=CC(=O)C2=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C2)C=[NH+]1	REAL300000159791	0	46	0.0	-79.73	400.78	5.15	-74.58
C[C@H](NS(=O)(=O)C1=CC=C(C(=O)C=CC2=CC=C(N)[NH+]=C2)C=C1)C(=O)[O-]	REAL300000159947	0	43	0.0	-71.36	376.54	4.34	-67.02
CC[NH+]1CCN(C2=CC=C(C(=O)C=CC3=CC=C(C(=O)[O-])C=C3)C=C2F)CC1	REAL300000160458	1	51	0.0	-80.92	408.30	11.87	-69.05
CC[NH+]1CCN(C2=CC=C(C(=O)C=CC3=CN(CC(=O)[O-])N=N3)C=C2F)CC1	REAL300000160459	1	50	0.0	-77.29	408.46	8.75	-68.54
CC[NH+]1CCN(C2=CC=C(C(=O)C=CC3=CC=CC(C(=O)[O-])=C3)C=C2F)CC1	REAL300000160460	1	51	0.0	-83.27	408.33	11.86	-71.41
CC[NH+]1CCN(C2=CC=C(C(=O)C=CC3=CC(C(=O)[O-])=CS3)C=C2F)CC1	REAL300000160461	1	48	0.0	-79.04	399.73	11.00	-68.04
CC[NH+]1CCN(C2=CC=C(C(=O)C=CC3=CC=C(O)C(C(=O)[O-])=C3)C=C2F)CC1	REAL300000160462	1	52	0.0	-84.42	417.10	9.91	-74.51
CC[NH+]1CCN(C2=CC=C(C(=O)C=CC3=C(C(=O)[O-])C=NN3C)C=C2F)CC1	REAL300000160463	1	51	0.0	-74.77	409.48	9.44	-65.33
CC[NH+]1CCN(C2=CC=C(C(=O)C=CC3=CC=C(C=CC(=O)[O-])O3)C=C2F)CC1	REAL300000160464	1	52	0.0	-77.33	426.14	11.62	-65.71
CC[NH+]1CCN(C2=CC=C(C(=O)C=CC3=CC=C(CC(=O)[O-])C=C3)C=C2F)CC1	REAL300000160465	1	54	0.0	-77.57	430.50	12.65	-64.92
CC[NH+]1CCN(C2=CC=C(C(=O)C=CC3=CC=C(C(=O)[O-])S3)C=C2F)CC1	REAL300000160466	1	48	0.0	-76.32	402.01	11.16	-65.16
CC[NH+]1CCN(C2=CC=C(C(=O)C=CC3=CC=C(C(=O)[O-])N=C3)C=C2F)CC1	REAL300000160467	1	50	0.0	-81.10	404.07	10.09	-71.01
CC[NH+]1CCN(C2=CC=C(C(=O)C=CC3=CC=C(C(=O)[O-])C(O)=C3)C=C2F)CC1	REAL300000160468	1	52	0.0	-82.77	417.02	9.91	-72.86
CC[NH+]1CCN(C2=CC=C(C(=O)C=CC3=CC=C(C)C(C(=O)[O-])=C3)C=C2F)CC1	REAL300000160469	1	54	0.0	-82.50	424.30	12.40	-70.10
CC[NH+]1CCN(C2=CC=C(C(=O)C=CC3=CC(C(=O)[O-])=C(C)O3)C=C2F)CC1	REAL300000160470	1	51	0.0	-76.69	410.79	10.85	-65.84
CC[NH+]1CCN(C2=CC=C(C(=O)C=CC3=CC(C(=O)[O-])=NN3C)C=C2F)CC1	REAL300000160471	1	51	0.0	-82.47	411.41	9.58	-72.89
CC[NH+]1CCN(C2=CC=C(C(=O)C=CC3=CN=CC(C(=O)[O-])=C3)C=C2F)CC1	REAL300000160472	1	50	0.0	-77.19	403.38	10.08	-67.11
CC[NH+]1CCN(C2=CC=C(C(=O)C=CC3=CC(C(=O)[O-])=CO3)C=C2F)CC1	REAL300000160473	1	48	0.0	-76.24	392.82	10.13	-66.11
CC[NH+]1CCN(C2=CC=C(C(=O)C=CC3=CC=CC(CC(=O)[O-])=C3)C=C2F)CC1	REAL300000160474	1	54	0.0	-78.51	430.50	12.63	-65.88
CC[NH+]1CCN(C2=CC=C(C(=O)C=CC3=CSC(C(=O)[O-])=C3)C=C2F)CC1	REAL300000160475	1	48	0.0	-78.78	399.61	10.97	-67.81
CC(C)C1=[NH+]C(C=CC(=O)C2=CC=C(OCCCC(=O)[O-])C=C2)=C2C=CC=CN21	REAL300000161432	1	53	0.0	-69.32	433.82	13.89	-55.43
CCN(C)C1=CC=C(C=CC(=O)C2=CC=C(OCCCC(=O)[O-])C=C2)C=[NH+]1	REAL300000161514	1	51	0.0	-72.92	412.84	12.11	-60.81
CC(C)N(C)C1=CC=C(C=CC(=O)C2=CC=C(OCCCC(=O)[O-])C=C2)C=[NH+]1	REAL300000161578	1	54	0.0	-72.51	429.02	12.62	-59.89
COCCN(C)C1=CC=C(C=CC(=O)C2=CC=C(OCCCC(=O)[O-])C=C2)C=[NH+]1	REAL300000161579	1	55	0.0	-74.60	444.22	11.28	-63.32
C[NH+](C)CC1=CN=C(C=CC(=O)C2=CC=C(OCCCC(=O)[O-])C=C2)S1	REAL300000161585	1	48	0.0	-78.72	408.46	10.36	-68.36
NC1=CC=C(C=CC(=O)C2=CC=C(OCCCC(=O)[O-])C=C2)C=[NH+]1	REAL300000161632	0	42	0.0	-76.96	354.45	8.42	-68.54
O=C([O-])CCCOC1=CC=C(C(=O)C=CC2=CC=NN2C2=CC=[NH+]C=C2)C=C1	REAL300000161729	1	47	0.0	-76.84	398.47	10.65	-66.19
CN(CCO)C1=CC=C(C=CC(=O)C2=CC=C(OCCCC(=O)[O-])C=C2)C=[NH+]1	REAL300000161935	1	52	0.0	-74.92	421.97	8.88	-66.04
COC1=CC(C)=[NH+]C=C1C=CC(=O)C1=CC=C(OCCCC(=O)[O-])C=C1	REAL300000162029	1	47	0.0	-77.86	389.79	9.63	-68.23
C[NH+]1CCN(C2=CC=C(C=CC3=NC4=CC=CC=C4C(C(=O)[O-])=C3)C=C2F)CC1	REAL300000163496	1	51	0.0	-80.14	407.71	11.82	-68.32
CC(C)C1=[NH+]C(C=CC2=NC3=CC=CC=C3C(C(=O)[O-])=C2)=C2C=CC=CN21	REAL300000163680	1	46	0.0	-61.53	378.97	13.42	-48.11
C[NH+]1CCN(C2=CC=C(C=CC3=NC4=CC=CC=C4C(C(=O)[O-])=C3)C=C2)CC1	REAL300000163739	0	51	0.0	-78.50	397.65	11.52	-66.98
CCN(C)C1=CC=C(C=CC2=NC3=CC=CC=C3C(C(=O)[O-])=C2)C=[NH+]1	REAL300000163782	1	44	0.0	-64.13	357.18	11.56	-52.57
CC(C)N(C)C1=CC=C(C=CC2=NC3=CC=CC=C3C(C(=O)[O-])=C2)C=[NH+]1	REAL300000163862	1	47	0.0	-63.75	373.00	12.08	-51.67
COCCN(C)C1=CC=C(C=CC2=NC3=CC=CC=C3C(C(=O)[O-])=C2)C=[NH+]1	REAL300000163865	1	48	0.0	-65.27	388.55	10.72	-54.55
C[NH+](C)CC1=CN=C(C=CC2=NC3=CC=CC=C3C(C(=O)[O-])=C2)S1	REAL300000163874	0	41	0.0	-77.19	353.24	9.87	-67.32
O=C([O-])C1=CC(C=CC2=CC=NN2C2=CC=[NH+]C=C2)=NC2=CC=CC=C21	REAL300000164037	1	40	0.0	-75.32	342.64	10.11	-65.21
CN(CCO)C1=CC=C(C=CC2=NC3=CC=CC=C3C(C(=O)[O-])=C2)C=[NH+]1	REAL300000164297	1	45	0.0	-65.62	366.30	8.31	-57.31
COC1=CC(C)=[NH+]C=C1C=CC1=NC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300000164419	1	40	0.0	-67.84	334.07	9.09	-58.75
CCN(C)C1=CC=C(C=C(CCCC(=O)[O-])C2=NC3=CC=CC=C3S2)C=[NH+]1	REAL300000165050	1	50	0.0	-64.76	406.84	12.64	-52.12
CC(C)N(C)C1=CC=C(C=C(CCCC(=O)[O-])C2=NC3=CC=CC=C3S2)C=[NH+]1	REAL300000165091	1	53	0.0	-63.89	422.84	13.17	-50.72
C[NH+](C)CC1=CN=C(C=C(CCCC(=O)[O-])C2=NC3=CC=CC=C3S2)S1	REAL300000165096	0	47	0.0	-74.58	403.66	12.05	-62.53
NC1=CC=C(C=C(CCCC(=O)[O-])C2=NC3=CC=CC=C3S2)C=[NH+]1	REAL300000165127	0	41	0.0	-69.14	348.46	8.95	-60.19
CN(CCO)C1=CC=C(C=C(CCCC(=O)[O-])C2=NC3=CC=CC=C3S2)C=[NH+]1	REAL300000165326	1	51	0.0	-63.11	414.90	9.59	-53.52
COC1=CC(C)=[NH+]C=C1C=C(CCCC(=O)[O-])C1=NC2=CC=CC=C2S1	REAL300000165380	1	46	0.0	-58.91	384.84	10.06	-48.85
C[NH+]1CCN(C2=CC=C(C=C(CC(=O)[O-])C3=NC4=CC=CC=C4O3)C=C2F)CC1	REAL300000165570	1	51	0.0	-71.84	407.35	9.05	-62.79
C[NH+]1CCN(C2=CC=C(C=C(CC(=O)[O-])C3=NC4=CC=CC=C4O3)C=C2)CC1	REAL300000165751	0	51	0.0	-78.59	397.28	8.72	-69.87
CCN(C)C1=CC=C(C=C(CC(=O)[O-])C2=NC3=CC=CC=C3O2)C=[NH+]1	REAL300000165785	1	44	0.0	-62.40	356.78	8.74	-53.66
CC(C)N(C)C1=CC=C(C=C(CC(=O)[O-])C2=NC3=CC=CC=C3O2)C=[NH+]1	REAL300000165841	1	47	0.0	-60.35	372.93	9.24	-51.11
COCCN(C)C1=CC=C(C=C(CC(=O)[O-])C2=NC3=CC=CC=C3O2)C=[NH+]1	REAL300000165843	1	48	0.0	-64.38	388.16	7.89	-56.49
C[NH+](C)CC1=CN=C(C=C(CC(=O)[O-])C2=NC3=CC=CC=C3O2)S1	REAL300000165850	1	41	0.0	-79.86	353.82	7.94	-71.92
CN(CCO)C1=CC=C(C=C(CC(=O)[O-])C2=NC3=CC=CC=C3O2)C=[NH+]1	REAL300000166177	1	45	0.0	-64.96	365.91	5.49	-59.47
COC1=CC(C)=[NH+]C=C1C=C(CC(=O)[O-])C1=NC2=CC=CC=C2O1	REAL300000166268	1	40	0.0	-52.88	334.23	6.14	-46.74
NC1=CC=C(C=CC2=NC3=CC=CC=C3C(=O)N2C2=CC=C(C(=O)[O-])C=C2)C=[NH+]1	REAL300000166445	0	45	0.0	-64.66	386.34	10.88	-53.78
NC1=CC=C(C=CC2=NC3=CC=CC=C3C(C3=CC=CC=C3)=C2CC(=O)[O-])C=[NH+]1	REAL300000166993	0	48	0.0	-64.81	395.46	12.00	-52.81
CC1=CC2=C(C(=O)[O-])C=C(C=CC3=C4C=CC=CN4C(C(C)C)=[NH+]3)N=C2C=C1	REAL300000167544	1	49	0.0	-62.30	400.33	14.08	-48.22
CC1=CC2=C(C(=O)[O-])C=C(C=CC3=CC=C(N4CC[NH+](C)CC4)C=C3)N=C2C=C1	REAL300000167597	0	54	0.0	-79.52	419.02	12.17	-67.35
CCN(C)C1=CC=C(C=CC2=NC3=CC=C(C)C=C3C(C(=O)[O-])=C2)C=[NH+]1	REAL300000167639	1	47	0.0	-64.98	378.52	12.21	-52.77
CC1=CC2=C(C(=O)[O-])C=C(C=CC3=CC=C(N(C)C(C)C)[NH+]=C3)N=C2C=C1	REAL300000167716	1	50	0.0	-64.56	394.37	12.73	-51.83
COCCN(C)C1=CC=C(C=CC2=NC3=CC=C(C)C=C3C(C(=O)[O-])=C2)C=[NH+]1	REAL300000167718	1	51	0.0	-66.15	409.91	11.37	-54.78
CC1=CC2=C(C(=O)[O-])C=C(C=CC3=NC=C(C[NH+](C)C)S3)N=C2C=C1	REAL300000167727	0	44	0.0	-78.72	374.26	10.60	-68.12
CC1=CC2=C(C(=O)[O-])C=C(C=CC3=CC=C(N)[NH+]=C3)N=C2C=C1	REAL300000167779	0	38	0.0	-71.23	320.19	8.54	-62.69
CC1=CC2=C(C(=O)[O-])C=C(C=CC3=CC=NN3C3=CC=[NH+]C=C3)N=C2C=C1	REAL300000167884	1	43	0.0	-76.33	364.00	10.77	-65.56
CC1=CC2=C(C(=O)[O-])C=C(C=CC3=CC=C(N(C)CCO)[NH+]=C3)N=C2C=C1	REAL300000168122	1	48	0.0	-66.51	387.67	8.97	-57.54
COC1=CC(C)=[NH+]C=C1C=CC1=NC2=CC=C(C)C=C2C(C(=O)[O-])=C1	REAL300000168231	1	43	0.0	-68.67	355.43	9.74	-58.93
CC1=C(C(=O)[O-])C2=CC=CC=C2N=C1C=CC1=C2C=CC=CN2C(C(C)C)=[NH+]1	REAL300000168663	1	49	0.0	-69.05	399.59	14.06	-54.99
CC1=C(C(=O)[O-])C2=CC=CC=C2N=C1C=CC1=CC=C(N2CC[NH+](C)CC2)C=C1	REAL300000168716	0	54	0.0	-84.65	418.29	12.16	-72.49
CCN(C)C1=CC=C(C=CC2=NC3=CC=CC=C3C(C(=O)[O-])=C2C)C=[NH+]1	REAL300000168758	1	47	0.0	-72.08	377.69	12.21	-59.87
CC1=C(C(=O)[O-])C2=CC=CC=C2N=C1C=CC1=CC=C(N(C)C(C)C)[NH+]=C1	REAL300000168835	1	50	0.0	-71.63	393.70	12.74	-58.89
COCCN(C)C1=CC=C(C=CC2=NC3=CC=CC=C3C(C(=O)[O-])=C2C)C=[NH+]1	REAL300000168837	1	51	0.0	-73.31	409.06	11.37	-61.94
CC1=C(C(=O)[O-])C2=CC=CC=C2N=C1C=CC1=NC=C(C[NH+](C)C)S1	REAL300000168846	0	44	0.0	-82.83	373.75	10.51	-72.32
CC1=C(C(=O)[O-])C2=CC=CC=C2N=C1C=CC1=CC=C(N)[NH+]=C1	REAL300000168898	0	38	0.0	-76.26	319.28	8.52	-67.74
CC1=C(C(=O)[O-])C2=CC=CC=C2N=C1C=CC1=CC=NN1C1=CC=[NH+]C=C1	REAL300000169003	1	43	0.0	-81.49	363.27	10.75	-70.74
CC1=C(C(=O)[O-])C2=CC=CC=C2N=C1C=CC1=CC=C(N(C)CCO)[NH+]=C1	REAL300000169241	1	48	0.0	-73.63	386.82	8.97	-64.66
COC1=CC(C)=[NH+]C=C1C=CC1=NC2=CC=CC=C2C(C(=O)[O-])=C1C	REAL300000169350	1	43	0.0	-76.03	354.58	9.74	-66.29
CCN(C)C1=CC=C(C=CC(=O)C2=CC=C(C3=CC=C(C(=O)[O-])O3)C=C2)C=[NH+]1	REAL300000169976	1	48	0.0	-83.80	401.02	12.98	-70.82
CC(C)N(C)C1=CC=C(C=CC(=O)C2=CC=C(C3=CC=C(C(=O)[O-])O3)C=C2)C=[NH+]1	REAL300000170030	1	51	0.0	-83.35	417.20	13.51	-69.84
C[NH+](C)CC1=CN=C(C=CC(=O)C2=CC=C(C3=CC=C(C(=O)[O-])O3)C=C2)S1	REAL300000170035	1	45	0.0	-86.80	396.23	11.28	-75.52
NC1=CC=C(C=CC(=O)C2=CC=C(C3=CC=C(C(=O)[O-])O3)C=C2)C=[NH+]1	REAL300000170077	0	39	0.0	-88.04	342.64	9.29	-78.75
O=C([O-])C1=CC=C(C2=CC=C(C(=O)C=CC3=CC=NN3C3=CC=[NH+]C=C3)C=C2)O1	REAL300000170165	1	44	0.0	-84.08	386.65	11.53	-72.55
CN(CCO)C1=CC=C(C=CC(=O)C2=CC=C(C3=CC=C(C(=O)[O-])O3)C=C2)C=[NH+]1	REAL300000170346	1	49	0.0	-86.04	410.15	9.75	-76.29
COC1=CC(C)=[NH+]C=C1C=CC(=O)C1=CC=C(C2=CC=C(C(=O)[O-])O2)C=C1	REAL300000170417	1	44	0.0	-89.36	377.97	10.51	-78.85
C[NH+]1CCN(C2=CC=C(C=CC3=NC=C([N+](=O)[O-])C=C3C(=O)[O-])C=C2F)CC1	REAL300000170884	1	47	0.0	-65.59	392.27	10.38	-55.21
CC(C)C1=[NH+]C(C=CC2=NC=C([N+](=O)[O-])C=C2C(=O)[O-])=C2C=CC=CN21	REAL300000171075	1	42	0.0	-54.78	365.50	11.49	-43.29
C[NH+]1CCN(C2=CC=C(C=CC3=NC=C([N+](=O)[O-])C=C3C(=O)[O-])C=C2)CC1	REAL300000171134	0	47	0.0	-68.78	378.41	9.93	-58.85
CCN(C)C1=CC=C(C=CC2=NC=C([N+](=O)[O-])C=C2C(=O)[O-])C=[NH+]1	REAL300000171176	1	40	0.0	-49.48	341.88	10.12	-39.36
CC(C)N(C)C1=CC=C(C=CC2=NC=C([N+](=O)[O-])C=C2C(=O)[O-])C=[NH+]1	REAL300000171257	1	43	0.0	-49.00	357.88	10.65	-38.35
COCCN(C)C1=CC=C(C=CC2=NC=C([N+](=O)[O-])C=C2C(=O)[O-])C=[NH+]1	REAL300000171260	1	44	0.0	-49.81	373.26	9.28	-40.53
C[NH+](C)CC1=CN=C(C=CC2=NC=C([N+](=O)[O-])C=C2C(=O)[O-])S1	REAL300000171269	0	37	0.0	-71.91	337.97	8.41	-63.50
O=C([O-])C1=CC([N+](=O)[O-])=CN=C1C=CC1=CC=NN1C1=CC=[NH+]C=C1	REAL300000171435	1	36	0.0	-65.55	323.73	8.53	-57.02
CN(CCO)C1=CC=C(C=CC2=NC=C([N+](=O)[O-])C=C2C(=O)[O-])C=[NH+]1	REAL300000171701	1	41	0.0	-50.15	351.01	6.87	-43.28
COC1=CC(C)=[NH+]C=C1C=CC1=NC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300000171824	1	36	0.0	-50.61	318.79	7.64	-42.97
C[NH+]1CCN(C2=CC=C(C=CC(=O)C3=CC=C(C(=O)[O-])S3)C=C2F)CC1	REAL300000172447	1	45	0.0	-77.49	384.41	10.47	-67.02
CC(C)C1=[NH+]C(C=CC(=O)C2=CC=C(C(=O)[O-])S2)=C2C=CC=CN12	REAL300000172628	1	40	0.0	-61.68	354.82	12.00	-49.68
C[NH+]1CCN(C2=CC=C(C=CC(=O)C3=CC=C(C(=O)[O-])S3)C=C2)CC1	REAL300000172686	0	45	0.0	-74.98	374.20	10.16	-64.82
CCN(C)C1=CC=C(C=CC(=O)C2=CC=C(C(=O)[O-])S2)C=[NH+]1	REAL300000172728	1	38	0.0	-62.85	333.88	10.21	-52.64
CC(C)N(C)C1=CC=C(C=CC(=O)C2=CC=C(C(=O)[O-])S2)C=[NH+]1	REAL300000172805	1	41	0.0	-62.44	350.06	10.74	-51.70
COCCN(C)C1=CC=C(C=CC(=O)C2=CC=C(C(=O)[O-])S2)C=[NH+]1	REAL300000172808	1	42	0.0	-64.02	365.26	9.38	-54.64
C[NH+](C)CC1=CN=C(C=CC(=O)C2=CC=C(C(=O)[O-])S2)S1	REAL300000172820	1	35	0.0	-76.27	329.09	8.53	-67.74
O=C([O-])C1=CC=C(C(=O)C=CC2=CC=NN2C2=CC=[NH+]C=C2)S1	REAL300000172969	1	34	0.0	-71.92	319.52	8.77	-63.15
CN(CCO)C1=CC=C(C=CC(=O)C2=CC=C(C(=O)[O-])S2)C=[NH+]1	REAL300000173215	1	39	0.0	-62.03	341.92	7.17	-54.86
COC1=CC(C)=[NH+]C=C1C=CC(=O)C1=CC=C(C(=O)[O-])S1	REAL300000173336	1	34	0.0	-66.09	310.83	7.74	-58.35
NC1=CC=C(C=CC2=NC3=CC=CC=C3C(C3=CC=CC=C3)=C2CC(=O)[O-])C=[NH+]1	REAL300000176132	0	48	0.0	-64.81	395.46	12.00	-52.81
C[NH+]1CCN(C2=CC=C(C=CC3=NC(C(=O)[O-])=CC=C3C#N)C=C2F)CC1	REAL300000176562	1	46	0.0	-74.55	385.47	9.99	-64.56
C[NH+]1CCN(C2=CC=C(C=CC3=NC(C(=O)[O-])=CC=C3C#N)C=C2)CC1	REAL300000176737	0	46	0.0	-74.51	375.41	9.69	-64.82
CCN(C)C1=CC=C(C=CC2=NC(C(=O)[O-])=CC=C2C#N)C=[NH+]1	REAL300000176766	1	39	0.0	-56.17	334.92	9.73	-46.44
CC(C)N(C)C1=CC=C(C=CC2=NC(C(=O)[O-])=CC=C2C#N)C=[NH+]1	REAL300000176811	1	42	0.0	-54.49	351.16	10.27	-44.22
COCCN(C)C1=CC=C(C=CC2=NC(C(=O)[O-])=CC=C2C#N)C=[NH+]1	REAL300000176813	1	43	0.0	-56.18	366.30	8.91	-47.27
C[NH+](C)CC1=CN=C(C=CC2=NC(C(=O)[O-])=CC=C2C#N)S1	REAL300000176823	0	36	0.0	-69.39	330.67	8.13	-61.26
CN(CCO)C1=CC=C(C=CC2=NC(C(=O)[O-])=CC=C2C#N)C=[NH+]1	REAL300000177092	1	40	0.0	-56.50	344.12	6.50	-50.00
CC(C)C1=[NH+]C(C=CC2=NC3=CC(F)=CC=C3C(C(=O)[O-])=C2)=C2C=CC=CN21	REAL300000177599	1	46	0.0	-56.13	385.36	13.49	-42.64
C[NH+]1CCN(C2=CC=C(C=CC3=NC4=CC(F)=CC=C4C(C(=O)[O-])=C3)C=C2)CC1	REAL300000177650	0	51	0.0	-72.28	404.05	11.59	-60.69
CCN(C)C1=CC=C(C=CC2=NC3=CC(F)=CC=C3C(C(=O)[O-])=C2)C=[NH+]1	REAL300000177692	1	44	0.0	-59.10	363.57	11.63	-47.47
CC(C)N(C)C1=CC=C(C=CC2=NC3=CC(F)=CC=C3C(C(=O)[O-])=C2)C=[NH+]1	REAL300000177765	1	47	0.0	-58.69	379.39	12.15	-46.54
COCCN(C)C1=CC=C(C=CC2=NC3=CC(F)=CC=C3C(C(=O)[O-])=C2)C=[NH+]1	REAL300000177767	1	48	0.0	-60.27	394.94	10.79	-49.48
C[NH+](C)CC1=CN=C(C=CC2=NC3=CC(F)=CC=C3C(C(=O)[O-])=C2)S1	REAL300000177774	0	41	0.0	-71.41	359.31	10.01	-61.40
NC1=CC=C(C=CC2=NC3=CC(F)=CC=C3C(C(=O)[O-])=C2)C=[NH+]1	REAL300000177825	0	35	0.0	-64.73	305.22	7.96	-56.77
O=C([O-])C1=CC(C=CC2=CC=NN2C2=CC=[NH+]C=C2)=NC2=CC(F)=CC=C21	REAL300000177931	1	40	0.0	-68.04	349.05	10.18	-57.86
CN(CCO)C1=CC=C(C=CC2=NC3=CC(F)=CC=C3C(C(=O)[O-])=C2)C=[NH+]1	REAL300000178158	1	45	0.0	-60.65	372.69	8.38	-52.27
COC1=CC(C)=[NH+]C=C1C=CC1=NC2=CC(F)=CC=C2C(C(=O)[O-])=C1	REAL300000178263	1	40	0.0	-62.90	340.45	9.16	-53.74
NC1=CC=C(C=CC2=NC3=CC(C(=O)[O-])=CC=C3N2C2=CC=CC=C2)C=[NH+]1	REAL300000178781	0	43	0.0	-78.69	369.51	11.34	-67.35
COC1=CC(C)=[NH+]C=C1C=CC1=NC2=CC(C(=O)[O-])=CC=C2N1C1=CC=CC=C1	REAL300000178935	1	48	0.0	-81.68	404.74	12.52	-69.16
C[NH+]1CCN(C2=CC=C(C=CC(=O)C3=CC=C(CC(=O)[O-])C=C3)C=C2F)CC1	REAL300000179293	1	51	0.0	-78.55	412.09	11.95	-66.60
CC(C)C1=[NH+]C(C=CC(=O)C2=CC=C(CC(=O)[O-])C=C2)=C2C=CC=CN21	REAL300000179478	1	46	0.0	-65.52	382.52	13.48	-52.04
C[NH+]1CCN(C2=CC=C(C=CC(=O)C3=CC=C(CC(=O)[O-])C=C3)C=C2)CC1	REAL300000179536	0	51	0.0	-78.00	401.89	11.64	-66.36
CCN(C)C1=CC=C(C=CC(=O)C2=CC=C(CC(=O)[O-])C=C2)C=[NH+]1	REAL300000179579	1	44	0.0	-68.36	361.56	11.70	-56.66
CC(C)N(C)C1=CC=C(C=CC(=O)C2=CC=C(CC(=O)[O-])C=C2)C=[NH+]1	REAL300000179658	1	47	0.0	-67.94	377.74	12.22	-55.72
COCCN(C)C1=CC=C(C=CC(=O)C2=CC=C(CC(=O)[O-])C=C2)C=[NH+]1	REAL300000179661	1	48	0.0	-69.85	392.94	10.86	-58.99
C[NH+](C)CC1=CN=C(C=CC(=O)C2=CC=C(CC(=O)[O-])C=C2)S1	REAL300000179672	1	41	0.0	-76.47	357.17	9.95	-66.52
O=C([O-])CC1=CC=C(C(=O)C=CC2=CC=NN2C2=CC=[NH+]C=C2)C=C1	REAL300000179833	1	40	0.0	-72.85	347.19	10.25	-62.60
CN(CCO)C1=CC=C(C=CC(=O)C2=CC=C(CC(=O)[O-])C=C2)C=[NH+]1	REAL300000180083	1	45	0.0	-70.22	370.69	8.46	-61.76
COC1=CC(C)=[NH+]C=C1C=CC(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300000180208	1	40	0.0	-73.18	338.51	9.22	-63.96
CC1=C(C(=O)[O-])OC2=C1C(=O)C(=CC1=CC=C(N(C)C(C)C)[NH+]=C1)CC2	REAL300000180828	1	48	0.0	-70.44	374.54	11.63	-58.81
COCCN(C)C1=CC=C(C=C2CCC3=C(C(C)=C(C(=O)[O-])O3)C2=O)C=[NH+]1	REAL300000180830	1	49	0.0	-73.44	389.30	10.27	-63.17
CC1=C(C(=O)[O-])OC2=C1C(=O)C(=CC1=CC=C(N(C)CCO)[NH+]=C1)CC2	REAL300000181150	1	46	0.0	-73.68	367.04	7.87	-65.81
COC1=CC(C)=[NH+]C=C1C=C1CCC2=C(C(C)=C(C(=O)[O-])O2)C1=O	REAL300000181234	1	41	0.0	-63.74	337.09	8.41	-55.33
CCN1CC(=CC2=CC=C(N)[NH+]=C2)C2=NC3=CC=CC=C3C(C(=O)[O-])=C2C1	REAL300000182137	0	47	0.0	-71.08	373.07	8.32	-62.76
CCN1CC(=CC2=C[NH+]=C(C)C=C2OC)C2=NC3=CC=CC=C3C(C(=O)[O-])=C2C1	REAL300000182298	1	52	0.0	-67.86	403.68	9.00	-58.86
NC1=CC=C(C=CC2=NC3=CC(Br)=CC=C3C(C(=O)[O-])=C2)C=[NH+]1	REAL300000183382	0	35	0.0	-65.35	320.08	8.50	-56.85
COC1=CC(C)=[NH+]C=C1C=CC1=NC2=CC(Br)=CC=C2C(C(=O)[O-])=C1	REAL300000183490	1	40	0.0	-63.47	355.31	9.70	-53.77
CC(C)C1=[NH+]C(C=CC(=O)C2=CC(OC(C)C(=O)[O-])=CC=C2)=C2C=CC=CN12	REAL300000186537	1	50	0.0	-76.26	409.28	13.59	-62.67
CC(OC1=CC=CC(C(=O)C=CC2=CC=C(N3CC[NH+](C)CC3)C=C2)=C1)C(=O)[O-]	REAL300000186587	0	55	0.0	-88.71	428.46	11.72	-76.99
CCN(C)C1=CC=C(C=CC(=O)C2=CC=CC(OC(C)C(=O)[O-])=C2)C=[NH+]1	REAL300000186628	1	48	0.0	-80.64	388.15	11.78	-68.86
CC(C)N(C)C1=CC=C(C=CC(=O)C2=CC(OC(C)C(=O)[O-])=CC=C2)C=[NH+]1	REAL300000186700	1	51	0.0	-80.21	404.39	12.33	-67.88
COCCN(C)C1=CC=C(C=CC(=O)C2=CC=CC(OC(C)C(=O)[O-])=C2)C=[NH+]1	REAL300000186702	1	52	0.0	-82.39	419.52	10.95	-71.44
CC(OC1=CC=CC(C(=O)C=CC2=NC=C(C[NH+](C)C)S2)=C1)C(=O)[O-]	REAL300000186709	1	45	0.0	-84.85	383.52	10.09	-74.76
CC(OC1=CC=CC(C(=O)C=CC2=CC=C(N)[NH+]=C2)=C1)C(=O)[O-]	REAL300000186761	0	39	0.0	-85.01	329.75	8.08	-76.93
CC(OC1=CC=CC(C(=O)C=CC2=CC=NN2C2=CC=[NH+]C=C2)=C1)C(=O)[O-]	REAL300000186867	1	44	0.0	-79.28	373.81	10.32	-68.96
CC(OC1=CC=CC(C(=O)C=CC2=CC=C(N(C)CCO)[NH+]=C2)=C1)C(=O)[O-]	REAL300000187091	1	49	0.0	-82.80	397.27	8.54	-74.26
COC1=CC(C)=[NH+]C=C1C=CC(=O)C1=CC=CC(OC(C)C(=O)[O-])=C1	REAL300000187196	1	44	0.0	-86.54	365.09	9.31	-77.23
NC1=CC=C(C=CC2=NC3=CC=C(Br)C=C3C(C(=O)[O-])=C2)C=[NH+]1	REAL300000187835	0	35	0.0	-66.89	320.02	8.47	-58.42
COC1=CC(C)=[NH+]C=C1C=CC1=NC2=CC=C(Br)C=C2C(C(=O)[O-])=C1	REAL300000187943	1	40	0.0	-66.38	355.32	9.69	-56.69
C[NH+]1CCN(C2=CC=C(C=CC3=NC=C(C(=O)[O-])S3)C=C2F)CC1	REAL300000188274	1	42	0.0	-78.89	357.46	8.84	-70.05
CC(C)C1=[NH+]C(C=CC2=NC=C(C(=O)[O-])S2)=C2C=CC=CN21	REAL300000188429	1	37	0.0	-65.51	327.29	10.35	-55.16
C[NH+]1CCN(C2=CC=C(C=CC3=NC=C(C(=O)[O-])S3)C=C2)CC1	REAL300000188474	0	42	0.0	-79.46	347.40	8.52	-70.94
CC(C)N(C)C1=CC=C(C=CC2=NC=C(C(=O)[O-])S2)C=[NH+]1	REAL300000188560	1	38	0.0	-68.01	323.09	9.11	-58.90
COCCN(C)C1=CC=C(C=CC2=NC=C(C(=O)[O-])S2)C=[NH+]1	REAL300000188563	1	39	0.0	-69.90	338.30	7.73	-62.17
CN(CCO)C1=CC=C(C=CC2=NC=C(C(=O)[O-])S2)C=[NH+]1	REAL300000188868	1	36	0.0	-70.32	316.04	5.33	-64.99
CCN(C)C1=CC=C(C=C(CC(=O)[O-])C2=NC3=CC(Cl)=CC=C3S2)C=[NH+]1	REAL300000191859	1	44	0.0	-59.99	381.97	11.67	-48.32
C[NH+](C)CC1=CN=C(C=C(CC(=O)[O-])C2=NC3=CC(Cl)=CC=C3S2)S1	REAL300000191903	0	41	0.0	-76.56	378.99	10.87	-65.69
NC1=CC=C(C=C(CC(=O)[O-])C2=NC3=CC(Cl)=CC=C3S2)C=[NH+]1	REAL300000191937	0	35	0.0	-63.08	323.41	7.97	-55.11
O=C([O-])CC(=CC1=CC=NN1C1=CC=[NH+]C=C1)C1=NC2=CC(Cl)=CC=C2S1	REAL300000192004	1	40	0.0	-76.84	365.61	10.16	-66.68
COC1=CC(C)=[NH+]C=C1C=C(CC(=O)[O-])C1=NC2=CC(Cl)=CC=C2S1	REAL300000192194	1	40	0.0	-49.43	359.40	9.08	-40.35
C[NH+]1CCN(C2=CC=C(C=CC(=O)C3=CSC(C(=O)[O-])=C3)C=C2F)CC1	REAL300000192535	1	45	0.0	-84.85	383.12	10.30	-74.55
CC(C)C1=[NH+]C(C=CC(=O)C2=CSC(C(=O)[O-])=C2)=C2C=CC=CN12	REAL300000192716	1	40	0.0	-74.42	352.87	11.81	-62.61
C[NH+]1CCN(C2=CC=C(C=CC(=O)C3=CSC(C(=O)[O-])=C3)C=C2)CC1	REAL300000192774	0	45	0.0	-86.84	372.90	9.99	-76.85
CCN(C)C1=CC=C(C=CC(=O)C2=CSC(C(=O)[O-])=C2)C=[NH+]1	REAL300000192816	1	38	0.0	-78.29	332.58	10.04	-68.25
CC(C)N(C)C1=CC=C(C=CC(=O)C2=CSC(C(=O)[O-])=C2)C=[NH+]1	REAL300000192893	1	41	0.0	-77.84	348.76	10.56	-67.28
COCCN(C)C1=CC=C(C=CC(=O)C2=CSC(C(=O)[O-])=C2)C=[NH+]1	REAL300000192896	1	42	0.0	-79.45	363.96	9.21	-70.24
C[NH+](C)CC1=CN=C(C=CC(=O)C2=CSC(C(=O)[O-])=C2)S1	REAL300000192908	1	35	0.0	-83.40	327.79	8.34	-75.06
O=C([O-])C1=CC(C(=O)C=CC2=CC=NN2C2=CC=[NH+]C=C2)=CS1	REAL300000193057	1	34	0.0	-77.90	317.53	8.58	-69.32
CN(CCO)C1=CC=C(C=CC(=O)C2=CSC(C(=O)[O-])=C2)C=[NH+]1	REAL300000193303	1	39	0.0	-79.66	341.70	6.81	-72.85
COC1=CC(C)=[NH+]C=C1C=CC(=O)C1=CSC(C(=O)[O-])=C1	REAL300000193424	1	34	0.0	-83.98	309.52	7.56	-76.42
CC(C)C1=NC(C=CC2=CC=C(N3CC[NH+](C)CC3)C(F)=C2)=NC=C1C(=O)[O-]	REAL300000195358	1	53	0.0	-73.24	415.45	10.81	-62.43
CC(C)C1=[NH+]C(C=CC2=NC=C(C(=O)[O-])C(C(C)C)=N2)=C2C=CC=CN21	REAL300000195548	1	48	0.0	-60.16	392.28	12.40	-47.76
CC(C)C1=NC(C=CC2=CC=C(N3CC[NH+](C)CC3)C=C2)=NC=C1C(=O)[O-]	REAL300000195608	0	53	0.0	-73.99	405.34	10.50	-63.49
CCN(C)C1=CC=C(C=CC2=NC=C(C(=O)[O-])C(C(C)C)=N2)C=[NH+]1	REAL300000195650	1	46	0.0	-60.57	364.90	10.58	-49.99
CC(C)C1=NC(C=CC2=CC=C(N(C)C(C)C)[NH+]=C2)=NC=C1C(=O)[O-]	REAL300000195731	1	49	0.0	-62.88	387.21	11.12	-51.76
COCCN(C)C1=CC=C(C=CC2=NC=C(C(=O)[O-])C(C(C)C)=N2)C=[NH+]1	REAL300000195734	1	50	0.0	-64.62	402.60	9.74	-54.88
CC(C)C1=NC(C=CC2=NC=C(C[NH+](C)C)S2)=NC=C1C(=O)[O-]	REAL300000195744	0	43	0.0	-73.38	367.31	8.89	-64.49
CC(C)C1=NC(C=CC2=CC=NN2C2=CC=[NH+]C=C2)=NC=C1C(=O)[O-]	REAL300000195907	1	42	0.0	-62.82	351.92	9.13	-53.69
CC(C)C1=NC(C=CC2=CC=C(N(C)CCO)[NH+]=C2)=NC=C1C(=O)[O-]	REAL300000196170	1	47	0.0	-65.03	380.35	7.34	-57.69
COC1=CC(C)=[NH+]C=C1C=CC1=NC=C(C(=O)[O-])C(C(C)C)=N1	REAL300000196297	1	42	0.0	-68.14	348.13	8.12	-60.02
NC1=CC=C(C=C(CC(=O)[O-])C2=NC3=CC(Br)=CC=C3S2)C=[NH+]1	REAL300000197861	0	35	0.0	-62.88	327.97	8.07	-54.81
C[NH+]1CCN(C2=CC=C(C=CC3=NC4=CC=C(C(=O)[O-])C=C4C=C3)C=C2F)CC1	REAL300000204349	1	51	0.0	-80.53	412.08	11.88	-68.65
CC(C)C1=[NH+]C(C=CC2=NC3=CC=C(C(=O)[O-])C=C3C=C2)=C2C=CC=CN21	REAL300000204533	1	46	0.0	-69.17	383.35	13.49	-55.68
C[NH+]1CCN(C2=CC=C(C=CC3=NC4=CC=C(C(=O)[O-])C=C4C=C3)C=C2)CC1	REAL300000204592	0	51	0.0	-82.53	402.02	11.58	-70.95
CCN(C)C1=CC=C(C=CC2=NC3=CC=C(C(=O)[O-])C=C3C=C2)C=[NH+]1	REAL300000204635	1	44	0.0	-71.98	361.61	11.64	-60.34
CC(C)N(C)C1=CC=C(C=CC2=NC3=CC=C(C(=O)[O-])C=C3C=C2)C=[NH+]1	REAL300000204715	1	47	0.0	-71.36	377.79	12.16	-59.20
COCCN(C)C1=CC=C(C=CC2=NC3=CC=C(C(=O)[O-])C=C3C=C2)C=[NH+]1	REAL300000204718	1	48	0.0	-73.09	392.99	10.80	-62.29
C[NH+](C)CC1=CN=C(C=CC2=NC3=CC=C(C(=O)[O-])C=C3C=C2)S1	REAL300000204727	0	41	0.0	-79.42	357.28	10.02	-69.40
O=C([O-])C1=CC2=CC=C(C=CC3=CC=NN3C3=CC=[NH+]C=C3)N=C2C=C1	REAL300000204890	1	40	0.0	-74.06	347.30	10.19	-63.87
CN(CCO)C1=CC=C(C=CC2=NC3=CC=C(C(=O)[O-])C=C3C=C2)C=[NH+]1	REAL300000205150	1	45	0.0	-73.47	370.74	8.40	-65.07
COC1=CC(C)=[NH+]C=C1C=CC1=NC2=CC=C(C(=O)[O-])C=C2C=C1	REAL300000205272	1	40	0.0	-79.14	338.43	9.15	-69.99
CC(C)C1=[NH+]C(C=CC2=CC(C(=O)[O-])=NC=N2)=C2C=CC=CN21	REAL300000205739	1	39	0.0	-62.22	333.09	11.16	-51.06
COCCN(C)C1=CC=C(C=CC2=CC(C(=O)[O-])=NC=N2)C=[NH+]1	REAL300000205855	1	41	0.0	-68.46	342.72	8.48	-59.98
CN(CCO)C1=CC=C(C=CC2=CC(C(=O)[O-])=NC=N2)C=[NH+]1	REAL300000206124	1	38	0.0	-68.85	320.47	6.08	-62.77
CC(C)C1=[NH+]C(C=CC2=NC(C(=O)[O-])=C(C3=CC=CC=C3)S2)=C2C=CC=CN21	REAL300000207289	1	47	0.0	-65.99	405.74	13.86	-52.13
CCN(C)C1=CC=C(C=CC2=NC(C(=O)[O-])=C(C3=CC=CC=C3)S2)C=[NH+]1	REAL300000207370	1	45	0.0	-70.88	383.96	12.04	-58.84
CC(C)N(C)C1=CC=C(C=CC2=NC(C(=O)[O-])=C(C3=CC=CC=C3)S2)C=[NH+]1	REAL300000207434	1	48	0.0	-70.19	399.74	12.56	-57.63
COCCN(C)C1=CC=C(C=CC2=NC(C(=O)[O-])=C(C3=CC=CC=C3)S2)C=[NH+]1	REAL300000207436	1	49	0.0	-72.48	415.33	11.19	-61.29
C[NH+](C)CC1=CN=C(C=CC2=NC(C(=O)[O-])=C(C3=CC=CC=C3)S2)S1	REAL300000207442	0	42	0.0	-79.88	379.61	10.40	-69.48
NC1=CC=C(C=CC2=NC(C(=O)[O-])=C(C3=CC=CC=C3)S2)C=[NH+]1	REAL300000207489	0	36	0.0	-75.39	325.54	8.35	-67.04
O=C([O-])C1=C(C2=CC=CC=C2)SC(C=CC2=CC=NN2C2=CC=[NH+]C=C2)=N1	REAL300000207588	1	41	0.0	-63.71	369.53	10.58	-53.13
CN(CCO)C1=CC=C(C=CC2=NC(C(=O)[O-])=C(C3=CC=CC=C3)S2)C=[NH+]1	REAL300000207796	1	46	0.0	-72.97	393.08	8.79	-64.18
COC1=CC(C)=[NH+]C=C1C=CC1=NC(C(=O)[O-])=C(C2=CC=CC=C2)S1	REAL300000207892	1	41	0.0	-78.34	360.84	9.56	-68.78
CCOC(=O)C1=CN=C(C=CC2=C3C=CC=CN3C(C(C)C)=[NH+]2)C(C(=O)[O-])=C1	REAL300000209655	1	49	0.0	-55.81	412.25	12.87	-42.94
CCOC(=O)C1=CN=C(C=CC2=CC=C(N3CC[NH+](C)CC3)C=C2)C(C(=O)[O-])=C1	REAL300000209705	0	54	0.0	-74.75	426.75	10.82	-63.93
CCOC(=O)C1=CN=C(C=CC2=CC=C(N(C)CC)[NH+]=C2)C(C(=O)[O-])=C1	REAL300000209746	1	47	0.0	-53.63	390.10	11.04	-42.59
CCOC(=O)C1=CN=C(C=CC2=CC=C(N(C)C(C)C)[NH+]=C2)C(C(=O)[O-])=C1	REAL300000209818	1	50	0.0	-53.09	406.08	11.58	-41.51
CCOC(=O)C1=CN=C(C=CC2=CC=C(N(C)CCOC)[NH+]=C2)C(C(=O)[O-])=C1	REAL300000209820	1	51	0.0	-53.82	421.47	10.21	-43.61
CCOC(=O)C1=CN=C(C=CC2=NC=C(C[NH+](C)C)S2)C(C(=O)[O-])=C1	REAL300000209827	0	44	0.0	-77.23	386.18	9.31	-67.92
CCOC(=O)C1=CN=C(C=CC2=CC=C(N)[NH+]=C2)C(C(=O)[O-])=C1	REAL300000209879	0	38	0.0	-65.61	331.78	7.36	-58.25
CCOC(=O)C1=CN=C(C=CC2=CC=NN2C2=CC=[NH+]C=C2)C(C(=O)[O-])=C1	REAL300000209984	1	43	0.0	-70.84	372.10	9.43	-61.41
CCOC(=O)C1=CN=C(C=CC2=CC=C(N(C)CCO)[NH+]=C2)C(C(=O)[O-])=C1	REAL300000210208	1	48	0.0	-54.09	399.22	7.80	-46.29
CCOC(=O)C1=CN=C(C=CC2=C[NH+]=C(C)C=C2OC)C(C(=O)[O-])=C1	REAL300000210313	1	43	0.0	-54.89	367.00	8.57	-46.32
NC1=CC=C(C=C2SC(=S)N(C3=CC=CC(C(=O)[O-])=C3)C2=O)C=[NH+]1	REAL300000211160	1	35	0.0	-95.81	333.45	8.28	-87.53
COC1=CC(C)=[NH+]C=C1C=C1SC(=S)N(C2=CC=CC(C(=O)[O-])=C2)C1=O	REAL300000211333	1	40	0.0	-82.80	370.03	9.48	-73.32
C[NH+]1CCN(C2=CC=C(C=CC3=NC4=CC(C(=O)[O-])=CC=C4O3)C=C2F)CC1	REAL300000216332	1	48	0.0	-82.19	393.57	8.35	-73.84
CC(C)C1=[NH+]C(C=CC2=NC3=CC(C(=O)[O-])=CC=C3O2)=C2C=CC=CN21	REAL300000216518	1	43	0.0	-69.28	363.58	9.83	-59.45
C[NH+]1CCN(C2=CC=C(C=CC3=NC4=CC(C(=O)[O-])=CC=C4O3)C=C2)CC1	REAL300000216576	0	48	0.0	-80.65	383.51	8.04	-72.61
CCN(C)C1=CC=C(C=CC2=NC3=CC(C(=O)[O-])=CC=C3O2)C=[NH+]1	REAL300000216619	1	41	0.0	-73.72	343.11	8.11	-65.61
CC(C)N(C)C1=CC=C(C=CC2=NC3=CC(C(=O)[O-])=CC=C3O2)C=[NH+]1	REAL300000216698	1	44	0.0	-72.97	359.28	8.62	-64.35
COCCN(C)C1=CC=C(C=CC2=NC3=CC(C(=O)[O-])=CC=C3O2)C=[NH+]1	REAL300000216701	1	45	0.0	-74.34	374.48	7.27	-67.07
C[NH+](C)CC1=CN=C(C=CC2=NC3=CC(C(=O)[O-])=CC=C3O2)S1	REAL300000216713	0	38	0.0	-80.68	339.10	6.39	-74.29
O=C([O-])C1=CC=C2OC(C=CC3=CC=NN3C3=CC=[NH+]C=C3)=NC2=C1	REAL300000216873	1	37	0.0	-78.21	328.61	6.63	-71.58
CN(CCO)C1=CC=C(C=CC2=NC3=CC(C(=O)[O-])=CC=C3O2)C=[NH+]1	REAL300000217121	1	42	0.0	-74.71	352.23	4.86	-69.85
COC1=CC(C)=[NH+]C=C1C=CC1=NC2=CC(C(=O)[O-])=CC=C2O1	REAL300000217245	1	37	0.0	-74.65	319.93	5.61	-69.04
C[NH+]1CCN(C2=CC=C(C=CC3=NC4=C(C(=O)[O-])C=CC=C4O3)C=C2F)CC1	REAL300000217609	1	48	0.0	-93.49	393.09	8.57	-84.92
CC(C)C1=[NH+]C(C=CC2=NC3=C(C(=O)[O-])C=CC=C3O2)=C2C=CC=CN21	REAL300000217795	1	43	0.0	-75.58	362.98	10.03	-65.55
C[NH+]1CCN(C2=CC=C(C=CC3=NC4=C(C(=O)[O-])C=CC=C4O3)C=C2)CC1	REAL300000217853	0	48	0.0	-90.31	383.03	8.25	-82.06
CCN(C)C1=CC=C(C=CC2=NC3=C(C(=O)[O-])C=CC=C3O2)C=[NH+]1	REAL300000217896	1	41	0.0	-80.91	342.62	8.32	-72.59
CC(C)N(C)C1=CC=C(C=CC2=NC3=C(C(=O)[O-])C=CC=C3O2)C=[NH+]1	REAL300000217975	1	44	0.0	-79.93	358.80	8.84	-71.09
COCCN(C)C1=CC=C(C=CC2=NC3=C(C(=O)[O-])C=CC=C3O2)C=[NH+]1	REAL300000217978	1	45	0.0	-81.12	374.00	7.48	-73.64
C[NH+](C)CC1=CN=C(C=CC2=NC3=C(C(=O)[O-])C=CC=C3O2)S1	REAL300000217990	0	38	0.0	-91.40	338.23	6.66	-84.74
O=C([O-])C1=C2N=C(C=CC3=CC=NN3C3=CC=[NH+]C=C3)OC2=CC=C1	REAL300000218150	1	37	0.0	-87.88	328.15	6.85	-81.03
CN(CCO)C1=CC=C(C=CC2=NC3=C(C(=O)[O-])C=CC=C3O2)C=[NH+]1	REAL300000218398	1	42	0.0	-81.41	351.75	5.08	-76.33
COC1=CC(C)=[NH+]C=C1C=CC1=NC2=C(C(=O)[O-])C=CC=C2O1	REAL300000218522	1	37	0.0	-78.70	319.46	5.84	-72.86
CC1=C(CC(=O)[O-])C(=O)NC(C=CC2=CC=C(N3CC[NH+](C)CC3)C(F)=C2)=N1	REAL300000220285	1	51	0.0	-90.19	409.27	8.80	-81.39
CC1=C(CC(=O)[O-])C(=O)N=C(C=CC2=C3C=CC=CN3C(C(C)C)=[NH+]2)N1	REAL300000220476	1	46	0.0	-88.45	379.20	9.74	-78.71
CC1=C(CC(=O)[O-])C(=O)NC(C=CC2=CC=C(N3CC[NH+](C)CC3)C=C2)=N1	REAL300000220535	0	51	0.0	-89.90	399.20	8.48	-81.42
CCN(C)C1=CC=C(C=CC2=NC(=O)C(CC(=O)[O-])=C(C)N2)C=[NH+]1	REAL300000220577	1	44	0.0	-93.47	358.81	7.99	-85.48
CC1=C(CC(=O)[O-])C(=O)NC(C=CC2=CC=C(N(C)C(C)C)[NH+]=C2)=N1	REAL300000220658	1	47	0.0	-81.83	374.90	9.08	-72.75
COCCN(C)C1=CC=C(C=CC2=NC(C)=C(CC(=O)[O-])C(=O)N2)C=[NH+]1	REAL300000220661	1	48	0.0	-83.82	390.11	7.71	-76.11
CC1=C(CC(=O)[O-])C(=O)NC(C=CC2=NC=C(C[NH+](C)C)S2)=N1	REAL300000220670	0	41	0.0	-88.53	354.83	6.90	-81.63
CC1=C(CC(=O)[O-])C(=O)N=C(C=CC2=CC=NN2C2=CC=[NH+]C=C2)N1	REAL300000220836	1	40	0.0	-86.12	344.38	6.53	-79.59
CC1=C(CC(=O)[O-])C(=O)NC(C=CC2=CC=C(N(C)CCO)[NH+]=C2)=N1	REAL300000221102	1	45	0.0	-84.16	367.86	5.31	-78.85
COC1=CC(C)=[NH+]C=C1C=CC1=NC(=O)C(CC(=O)[O-])=C(C)N1	REAL300000221225	1	40	0.0	-100.48	335.73	5.52	-94.96
CCN(C)C1=CC=C(C=CC2=NC(C3=CC=CC=C3)=NC=C2C(=O)[O-])C=[NH+]1	REAL300000221844	1	47	0.0	-49.12	384.22	12.42	-36.70
CC(C)N(C)C1=CC=C(C=CC2=NC(C3=CC=CC=C3)=NC=C2C(=O)[O-])C=[NH+]1	REAL300000221896	1	50	0.0	-55.22	400.48	12.96	-42.26
COCCN(C)C1=CC=C(C=CC2=NC(C3=CC=CC=C3)=NC=C2C(=O)[O-])C=[NH+]1	REAL300000221897	1	51	0.0	-57.75	415.67	11.60	-46.15
C[NH+](C)CC1=CN=C(C=CC2=NC(C3=CC=CC=C3)=NC=C2C(=O)[O-])S1	REAL300000221904	0	44	0.0	-72.73	380.32	10.71	-62.02
NC1=CC=C(C=CC2=NC(C3=CC=CC=C3)=NC=C2C(=O)[O-])C=[NH+]1	REAL300000221945	0	38	0.0	-52.95	325.83	8.73	-44.22
CN(CCO)C1=CC=C(C=CC2=NC(C3=CC=CC=C3)=NC=C2C(=O)[O-])C=[NH+]1	REAL300000222203	1	48	0.0	-58.23	393.42	9.19	-49.04
COC1=CC(C)=[NH+]C=C1C=CC1=NC(C2=CC=CC=C2)=NC=C1C(=O)[O-]	REAL300000222281	1	43	0.0	-51.00	361.14	9.94	-41.06
NC1=CC=C(C=CC(=O)C2=CC(Br)=CC=C2OCC(=O)[O-])C=[NH+]1	REAL300000223433	0	36	0.0	-78.40	331.21	9.09	-69.31
CC1=C(C(=O)[O-])N=C(C=CC2=CC=C(N3CC[NH+](C)CC3)C(F)=C2)S1	REAL300000224672	1	45	0.0	-85.38	374.62	9.29	-76.09
CC1=C(C(=O)[O-])N=C(C=CC2=C3C=CC=CN3C(C(C)C)=[NH+]2)S1	REAL300000224846	1	40	0.0	-64.46	345.92	10.86	-53.60
CC1=C(C(=O)[O-])N=C(C=CC2=CC=C(N3CC[NH+](C)CC3)C=C2)S1	REAL300000224899	0	45	0.0	-84.04	364.57	8.99	-75.05
CCN(C)C1=CC=C(C=CC2=NC(C(=O)[O-])=C(C)S2)C=[NH+]1	REAL300000224933	1	38	0.0	-69.76	325.29	9.08	-60.68
CC1=C(C(=O)[O-])N=C(C=CC2=CC=C(N(C)C(C)C)[NH+]=C2)S1	REAL300000224996	1	41	0.0	-69.20	341.46	9.60	-59.60
COCCN(C)C1=CC=C(C=CC2=NC(C(=O)[O-])=C(C)S2)C=[NH+]1	REAL300000224999	1	42	0.0	-71.35	356.66	8.23	-63.12
CC1=C(C(=O)[O-])N=C(C=CC2=NC=C(C[NH+](C)C)S2)S1	REAL300000225011	0	35	0.0	-77.71	319.82	7.40	-70.31
CC1=C(C(=O)[O-])N=C(C=CC2=CC=NN2C2=CC=[NH+]C=C2)S1	REAL300000225133	1	34	0.0	-62.02	309.83	7.59	-54.43
CC1=C(C(=O)[O-])N=C(C=CC2=CC=C(N(C)CCO)[NH+]=C2)S1	REAL300000225355	1	39	0.0	-71.87	334.42	5.83	-66.04
CC(C)C1=[NH+]C(C=CC2=NC3=C(CCCC3C(=O)[O-])S2)=C2C=CC=CN21	REAL300000225924	1	47	0.0	-64.87	388.58	12.89	-51.98
C[NH+]1CCN(C2=CC=C(C=CC3=NC4=C(CCCC4C(=O)[O-])S3)C=C2)CC1	REAL300000225978	0	52	0.0	-83.62	407.26	11.01	-72.61
CCN(C)C1=CC=C(C=CC2=NC3=C(CCCC3C(=O)[O-])S2)C=[NH+]1	REAL300000226020	1	45	0.0	-66.32	366.84	11.07	-55.25
CC(C)N(C)C1=CC=C(C=CC2=NC3=C(CCCC3C(=O)[O-])S2)C=[NH+]1	REAL300000226098	1	48	0.0	-65.95	383.02	11.61	-54.34
COCCN(C)C1=CC=C(C=CC2=NC3=C(CCCC3C(=O)[O-])S2)C=[NH+]1	REAL300000226101	1	49	0.0	-67.04	398.22	10.25	-56.79
C[NH+](C)CC1=CN=C(C=CC2=NC3=C(CCCC3C(=O)[O-])S2)S1	REAL300000226110	0	42	0.0	-84.39	362.50	9.41	-74.98
NC1=CC=C(C=CC2=NC3=C(CCCC3C(=O)[O-])S2)C=[NH+]1	REAL300000226163	0	36	0.0	-69.71	307.72	7.41	-62.30
O=C([O-])C1CCCC2=C1N=C(C=CC1=CC=NN1C1=CC=[NH+]C=C1)S2	REAL300000226274	1	41	0.0	-81.67	352.50	9.62	-72.05
CN(CCO)C1=CC=C(C=CC2=NC3=C(CCCC3C(=O)[O-])S2)C=[NH+]1	REAL300000226529	1	46	0.0	-67.48	375.97	7.84	-59.64
COC1=CC(C)=[NH+]C=C1C=CC1=NC2=C(CCCC2C(=O)[O-])S1	REAL300000226642	1	41	0.0	-68.72	343.64	8.58	-60.14
C[NH+]1CCN(C2=CC=C(C=C3CC(C(=O)[O-])C4=CC=CC=C4C3=O)C=C2F)CC1	REAL300000226923	1	52	0.0	-67.34	406.91	12.05	-55.29
CC(C)C1=[NH+]C(C=C2CC(C(=O)[O-])C3=CC=CC=C3C2=O)=C2C=CC=CN21	REAL300000227102	1	47	0.0	-46.12	378.39	14.00	-32.12
C[NH+]1CCN(C2=CC=C(C=C3CC(C(=O)[O-])C4=CC=CC=C4C3=O)C=C2)CC1	REAL300000227157	0	52	0.0	-73.41	396.67	11.74	-61.67
CCN(C)C1=CC=C(C=C2CC(C(=O)[O-])C3=CC=CC=C3C2=O)C=[NH+]1	REAL300000227200	1	45	0.0	-51.12	356.39	11.81	-39.31
CC(C)N(C)C1=CC=C(C=C2CC(C(=O)[O-])C3=CC=CC=C3C2=O)C=[NH+]1	REAL300000227280	1	48	0.0	-50.39	372.17	12.34	-38.05
COCCN(C)C1=CC=C(C=C2CC(C(=O)[O-])C3=CC=CC=C3C2=O)C=[NH+]1	REAL300000227283	1	49	0.0	-51.02	387.76	10.98	-40.04
C[NH+](C)CC1=CN=C(C=C2CC(C(=O)[O-])C3=CC=CC=C3C2=O)S1	REAL300000227292	1	42	0.0	-72.15	351.66	10.49	-61.66
O=C([O-])C1CC(=CC2=CC=NN2C2=CC=[NH+]C=C2)C(=O)C2=CC=CC=C21	REAL300000227453	1	41	0.0	-32.46	335.21	10.08	-22.38
CN(CCO)C1=CC=C(C=C2CC(C(=O)[O-])C3=CC=CC=C3C2=O)C=[NH+]1	REAL300000227709	1	46	0.0	-51.36	365.51	8.58	-42.78
COC1=CC(C)=[NH+]C=C1C=C1CC(C(=O)[O-])C2=CC=CC=C2C1=O	REAL300000227827	1	41	0.0	-45.46	334.55	9.25	-36.21
CC(C)C1=[NH+]C(C=CC2=CC(C(=O)[O-])=C3C=NN(C(C)C)C3=N2)=C2C=CC=CN21	REAL300000228368	1	52	0.0	-61.32	426.80	13.70	-47.62
CCN(C)C1=CC=C(C=CC2=CC(C(=O)[O-])=C3C=NN(C(C)C)C3=N2)C=[NH+]1	REAL300000228449	1	50	0.0	-66.50	405.07	11.88	-54.62
CC(C)N(C)C1=CC=C(C=CC2=CC(C(=O)[O-])=C3C=NN(C(C)C)C3=N2)C=[NH+]1	REAL300000228513	1	53	0.0	-65.78	421.24	12.39	-53.39
COCCN(C)C1=CC=C(C=CC2=CC(C(=O)[O-])=C3C=NN(C(C)C)C3=N2)C=[NH+]1	REAL300000228515	1	54	0.0	-67.05	436.44	11.03	-56.02
CC(C)N1N=CC2=C(C(=O)[O-])C=C(C=CC3=NC=C(C[NH+](C)C)S3)N=C21	REAL300000228521	0	47	0.0	-75.54	401.05	10.17	-65.37
CC(C)N1N=CC2=C(C(=O)[O-])C=C(C=CC3=CC=C(N)[NH+]=C3)N=C21	REAL300000228568	0	41	0.0	-68.37	346.58	8.17	-60.20
CC(C)N1N=CC2=C(C(=O)[O-])C=C(C=CC3=CC=NN3C3=CC=[NH+]C=C3)N=C21	REAL300000228667	1	46	0.0	-74.51	390.52	10.39	-64.12
CC(C)N1N=CC2=C(C(=O)[O-])C=C(C=CC3=CC=C(N(C)CCO)[NH+]=C3)N=C21	REAL300000228875	1	51	0.0	-67.37	414.19	8.63	-58.74
COC1=CC(C)=[NH+]C=C1C=CC1=CC(C(=O)[O-])=C2C=NN(C(C)C)C2=N1	REAL300000228971	1	46	0.0	-67.92	381.88	9.39	-58.53
C[NH+]1CCN(C2=CC=C(C=CC(=O)C3=CC=CC(C(=O)[O-])=C3)C=C2F)CC1	REAL300000229263	1	48	0.0	-89.22	389.91	11.16	-78.06
CC(C)C1=[NH+]C(C=CC(=O)C2=CC=CC(C(=O)[O-])=C2)=C2C=CC=CN21	REAL300000229442	1	43	0.0	-79.28	360.34	12.71	-66.57
C[NH+]1CCN(C2=CC=C(C=CC(=O)C3=CC=CC(C(=O)[O-])=C3)C=C2)CC1	REAL300000229499	0	48	0.0	-91.95	379.69	10.85	-81.10
CCN(C)C1=CC=C(C=CC(=O)C2=CC=CC(C(=O)[O-])=C2)C=[NH+]1	REAL300000229539	1	41	0.0	-84.06	339.38	10.91	-73.15
CC(C)N(C)C1=CC=C(C=CC(=O)C2=CC=CC(C(=O)[O-])=C2)C=[NH+]1	REAL300000229610	1	44	0.0	-83.58	355.56	11.43	-72.15
COCCN(C)C1=CC=C(C=CC(=O)C2=CC=CC(C(=O)[O-])=C2)C=[NH+]1	REAL300000229613	1	45	0.0	-85.77	370.76	10.08	-75.69
C[NH+](C)CC1=CN=C(C=CC(=O)C2=CC=CC(C(=O)[O-])=C2)S1	REAL300000229625	1	38	0.0	-87.68	334.59	9.21	-78.47
O=C([O-])C1=CC=CC(C(=O)C=CC2=CC=NN2C2=CC=[NH+]C=C2)=C1	REAL300000229764	1	37	0.0	-81.25	325.04	9.47	-71.78
CN(CCO)C1=CC=C(C=CC(=O)C2=CC=CC(C(=O)[O-])=C2)C=[NH+]1	REAL300000229994	1	42	0.0	-86.25	348.51	7.67	-78.58
C[NH+]1CCN(C2=CC=C(C=CC(=O)C3=CC=C(C(=O)[O-])C=C3O)C=C2)CC1	REAL300000230664	1	49	0.0	-81.40	388.48	9.39	-72.01
CC(C)N(C)C1=CC=C(C=CC2=NC=C(C(=O)[O-])C(=O)N2)C=[NH+]1	REAL300000231973	1	41	0.0	-87.46	334.47	8.75	-78.71
COCCN(C)C1=CC=C(C=CC2=NC=C(C(=O)[O-])C(=O)N2)C=[NH+]1	REAL300000231975	1	42	0.0	-89.46	349.66	7.41	-82.05
CN(CCO)C1=CC=C(C=CC2=NC=C(C(=O)[O-])C(=O)N2)C=[NH+]1	REAL300000232213	1	39	0.0	-89.83	327.41	5.00	-84.83
CC(C)C1=[NH+]C(C=CC2=NC3=CC=CC=C3C(=O)N2CC(=O)[O-])=C2C=CC=CN21	REAL300000232663	1	49	0.0	-63.45	404.02	13.56	-49.89
CC(C)N(C)C1=CC=C(C=CC2=NC3=CC=CC=C3C(=O)N2CC(=O)[O-])C=[NH+]1	REAL300000232793	1	50	0.0	-62.70	399.88	12.34	-50.36
COCCN(C)C1=CC=C(C=CC2=NC3=CC=CC=C3C(=O)N2CC(=O)[O-])C=[NH+]1	REAL300000232795	1	51	0.0	-63.60	415.08	10.98	-52.62
NC1=CC=C(C=CC2=NC3=CC=CC=C3C(=O)N2CC(=O)[O-])C=[NH+]1	REAL300000232844	0	38	0.0	-67.03	325.30	8.12	-58.91
O=C([O-])CN1C(=O)C2=CC=CC=C2N=C1C=CC1=CC=NN1C1=CC=[NH+]C=C1	REAL300000232933	1	43	0.0	-78.31	369.18	10.33	-67.98
CN(CCO)C1=CC=C(C=CC2=NC3=CC=CC=C3C(=O)N2CC(=O)[O-])C=[NH+]1	REAL300000233123	1	48	0.0	-64.08	392.83	8.57	-55.51
COC1=CC(C)=[NH+]C=C1C=CC1=NC2=CC=CC=C2C(=O)N1CC(=O)[O-]	REAL300000233210	1	43	0.0	-65.42	360.61	9.35	-56.07
CC(C)C1=[NH+]C(C=CC(=O)C2=CN(CC(=O)[O-])N=N2)=C2C=CC=CN21	REAL300000233925	1	42	0.0	-60.09	361.92	9.58	-50.51
CC(C)N(C)C1=CC=C(C=CC(=O)C2=CN(CC(=O)[O-])N=N2)C=[NH+]1	REAL300000234086	1	43	0.0	-60.48	357.12	8.29	-52.19
COCCN(C)C1=CC=C(C=CC(=O)C2=CN(CC(=O)[O-])N=N2)C=[NH+]1	REAL300000234089	1	44	0.0	-61.87	372.33	6.94	-54.93
O=C([O-])CN1C=C(C(=O)C=CC2=CC=NN2C2=CC=[NH+]C=C2)N=N1	REAL300000234239	1	36	0.0	-71.65	326.76	6.34	-65.31
CN(CCO)C1=CC=C(C=CC(=O)C2=CN(CC(=O)[O-])N=N2)C=[NH+]1	REAL300000234461	1	41	0.0	-62.25	350.07	4.54	-57.71
COC1=CC(C)=[NH+]C=C1C=CC(=O)C1=CN(CC(=O)[O-])N=N1	REAL300000234569	1	36	0.0	-63.74	318.63	5.31	-58.43
C[NH+]1CCN(C2=CC=C(C=C3CCC4=C(C(C(=O)[O-])=CO4)C3=O)C=C2F)CC1	REAL300000234871	1	49	0.0	-77.04	389.40	11.16	-65.88
CC(C)C1=[NH+]C(C=C2CCC3=C(C(C(=O)[O-])=CO3)C2=O)=C2C=CC=CN21	REAL300000235061	1	44	0.0	-62.79	358.37	13.08	-49.71
C[NH+]1CCN(C2=CC=C(C=C3CCC4=C(C(C(=O)[O-])=CO4)C3=O)C=C2)CC1	REAL300000235121	0	49	0.0	-86.12	379.25	10.82	-75.30
CCN(C)C1=CC=C(C=C2CCC3=C(C(C(=O)[O-])=CO3)C2=O)C=[NH+]1	REAL300000235163	1	42	0.0	-71.47	338.92	10.91	-60.56
CC(C)N(C)C1=CC=C(C=C2CCC3=C(C(C(=O)[O-])=CO3)C2=O)C=[NH+]1	REAL300000235244	1	45	0.0	-69.39	356.69	11.45	-57.94
COCCN(C)C1=CC=C(C=C2CCC3=C(C(C(=O)[O-])=CO3)C2=O)C=[NH+]1	REAL300000235247	1	46	0.0	-74.37	370.29	10.08	-64.29
C[NH+](C)CC1=CN=C(C=C2CCC3=C(C(C(=O)[O-])=CO3)C2=O)S1	REAL300000235257	1	39	0.0	-86.91	333.31	9.98	-76.93
O=C([O-])C1=COC2=C1C(=O)C(=CC1=CC=NN1C1=CC=[NH+]C=C1)CC2	REAL300000235420	1	38	0.0	-73.51	321.66	9.42	-64.09
CN(CCO)C1=CC=C(C=C2CCC3=C(C(C(=O)[O-])=CO3)C2=O)C=[NH+]1	REAL300000235683	1	43	0.0	-74.70	348.04	7.68	-67.02
COC1=CC(C)=[NH+]C=C1C=C1CCC2=C(C(C(=O)[O-])=CO2)C1=O	REAL300000235810	1	38	0.0	-57.99	316.76	8.33	-49.66
COC1=CC(C=CC(=O)C2=CC=CC(C[NH+](C)C)=C2)=CC=C1OCC(=O)[O-]	REAL300000237019	0	50	0.0	-80.82	406.53	11.74	-69.08
C[NH+](C)CC1=CC=CC(C(=O)C=CC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300000237020	0	42	0.0	-78.01	346.97	11.69	-66.32
C[NH+](C)CC1=CC=CC(C(=O)C=CC2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300000237021	0	46	0.0	-75.26	377.33	11.97	-63.29
C[NH+](C)CC1=CC=CC(C(=O)C=CC2=CC=C(OCCC(=O)[O-])C=C2)=C1	REAL300000237022	0	49	0.0	-70.78	398.28	12.11	-58.67
CC(OC1=CC=CC(C=CC(=O)C2=CC=CC(C[NH+](C)C)=C2)=C1)C(=O)[O-]	REAL300000237023	0	49	0.0	-79.54	395.93	12.57	-66.97
C[NH+](C)CC1=CC=CC(C(=O)C=CC2=CC=CC(OCCC(=O)[O-])=C2)=C1	REAL300000237024	0	49	0.0	-74.31	399.01	12.11	-62.20
C[NH+](C)CC1=CC=CC(C(=O)C=CC2=CC=C(C3=CC=C(C(=O)[O-])C=C3)O2)=C1	REAL300000237025	0	49	0.0	-76.80	408.85	13.62	-63.18
C[NH+](C)CC1=CC=CC(C(=O)C=CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300000237026	0	46	0.0	-78.62	378.07	11.98	-66.64
C[NH+](C)CC1=CC=CC(C(=O)C=CC2=CC=C(OC(F)(F)C(=O)[O-])C=C2)=C1	REAL300000237027	0	46	0.0	-70.46	386.60	12.14	-58.32
COC1=C2OC(C(=O)[O-])=CC2=C(C=CC(=O)C2=CC=CC(C[NH+](C)C)=C2)C=C1	REAL300000237028	0	49	0.0	-86.99	405.05	11.73	-75.26
C[NH+](C)CC1=CC=CC(C(=O)C=CC2=CN(CC(=O)[O-])N=N2)=C1	REAL300000237029	0	41	0.0	-75.27	347.12	8.59	-66.68
C[NH+](C)CC1=CC=CC(C(=O)C=CC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300000237030	0	42	0.0	-81.72	347.00	11.69	-70.03
C[NH+](C)CC1=CC=CC(C(=O)C=CC2=CC(C(=O)[O-])=CS2)=C1	REAL300000237031	0	39	0.0	-77.73	338.39	10.83	-66.90
COC1=CC(C=CC(=O)C2=CC=CC(C[NH+](C)C)=C2)=CC=C1OCCC(=O)[O-]	REAL300000237032	0	53	0.0	-74.07	427.48	12.00	-62.07
C[NH+](C)CC1=CC=CC(C(=O)C=CC2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300000237033	0	42	0.0	-75.79	361.17	12.12	-63.67
C[NH+](C)CC1=CC=CC(C(=O)C=CC2=CC=CC(C(=O)[O-])=C2Cl)=C1	REAL300000237034	0	42	0.0	-81.53	357.01	12.00	-69.53
C[NH+](C)CC1=CC=CC(C(=O)C=CC2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300000237035	0	43	0.0	-82.50	355.09	9.74	-72.76
CC1=CC(C)=C(C(=O)[O-])C=C1C=CC(=O)C1=CC=CC(C[NH+](C)C)=C1	REAL300000237036	0	48	0.0	-74.11	380.46	12.75	-61.36
CC(OC1=CC=C(C=CC(=O)C2=CC=CC(C[NH+](C)C)=C2)C=C1)C(=O)[O-]	REAL300000237037	0	49	0.0	-76.03	395.19	12.57	-63.46
C[NH+](C)CC1=CC=CC(C(=O)C=CC2=CC=CC=C2OCCC(=O)[O-])=C1	REAL300000237038	0	49	0.0	-75.32	397.23	12.18	-63.14
CN1N=CC(C(=O)[O-])=C1C=CC(=O)C1=CC(C[NH+](C)C)=CC=C1	REAL300000237039	0	42	0.0	-72.39	348.21	9.27	-63.12
C[NH+](C)CC1=CC=CC(C(=O)C=CC2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300000237040	0	42	0.0	-80.06	351.43	11.72	-68.34
C[NH+](C)CC1=CC=CC(C(=O)C=CC2=CC=C(C=CC(=O)[O-])O2)=C1	REAL300000237041	0	43	0.0	-74.97	364.13	11.44	-63.53
COC1=CC=C(C=CC(=O)C2=CC=CC(C[NH+](C)C)=C2)C=C1C(=O)[O-]	REAL300000237042	0	46	0.0	-86.47	373.52	11.76	-74.71
C[NH+](C)CC1=CC=CC(C(=O)C=CC2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300000237043	0	42	0.0	-68.58	352.48	11.74	-56.84
COC1=CC(OC)=C(C(=O)[O-])C=C1C=CC(=O)C1=CC=CC(C[NH+](C)C)=C1	REAL300000237044	0	50	0.0	-78.34	401.68	11.16	-67.18
C[NH+](C)CC1=CC=CC(C(=O)C=CC2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300000237045	0	42	0.0	-84.17	351.51	11.73	-72.44
C[NH+](C)CC1=CC=CC(C(=O)C=CC2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300000237046	0	45	0.0	-74.27	369.17	12.47	-61.80
C[NH+](C)CC1=CC=CC(C(=O)C=CC2=CC(Br)=CC(C(=O)[O-])=C2)=C1	REAL300000237047	0	42	0.0	-75.87	368.33	12.31	-63.56
C[NH+](C)CC1=CC=CC(C(=O)C=CC2=CC=C(C(=O)[O-])S2)=C1	REAL300000237048	0	39	0.0	-74.79	340.68	10.99	-63.80
C[NH+](C)CC1=CC=CC(C(=O)C=CC2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300000237049	0	46	0.0	-78.59	378.29	12.99	-65.60
C[NH+](C)CC1=CC=CC(C(=O)C=CC2=CC(F)=C(C(=O)[O-])C=C2F)=C1	REAL300000237050	0	42	0.0	-76.47	356.96	11.75	-64.72
C[NH+](C)CC1=CC=CC(C(=O)C=CC2=C3C(=CC=C2)NN=C3C(=O)[O-])=C1	REAL300000237051	0	45	0.0	-88.04	367.60	10.24	-77.80
C[NH+](C)CC1=CC=CC(C(=O)C=CC2=CN(CC(=O)[O-])N=C2C2=CC=CC=C2)=C1	REAL300000237052	0	52	0.0	-79.48	427.77	13.41	-66.07
C[NH+](C)CC1=CC=CC(C(=O)C=CC2=CC=C(C3=CC=C(C(=O)[O-])C(O)=C3)O2)=C1	REAL300000237053	0	50	0.0	-78.75	417.68	11.70	-67.05
C[NH+](C)CC1=CC=CC(C(=O)C=CC2=CC=C(C3=CC=C(C(=O)[O-])C=C3)C=C2)=C1	REAL300000237054	0	52	0.0	-81.73	420.93	15.12	-66.61
C[NH+](C)CC1=CC=CC(C(=O)C=CC2=CNC3=CC=C(C(=O)[O-])C=C23)=C1	REAL300000237055	0	46	0.0	-89.41	379.46	11.78	-77.63
C[NH+](C)CC1=CC=CC(C(=O)C=CC2=CC=C(C(=O)[O-])N=C2)=C1	REAL300000237056	0	41	0.0	-79.64	342.79	9.93	-69.71
C[NH+](C)CC1=CC=CC(C(=O)C=CC2=CC=C(C(=O)[O-])C(O)=C2)=C1	REAL300000237057	0	43	0.0	-79.76	355.70	9.75	-70.01
CC1=CC=C(C=CC(=O)C2=CC=CC(C[NH+](C)C)=C2)C=C1C(=O)[O-]	REAL300000237058	0	45	0.0	-80.94	362.98	12.23	-68.71
C[NH+](C)CC1=CC=CC(C(=O)C=CC2=CC(C(=O)[O-])=C(Cl)S2)=C1	REAL300000237059	0	39	0.0	-75.65	352.01	11.36	-64.29
CC1=C(C(=O)[O-])C=C(C=CC(=O)C2=CC=CC(C[NH+](C)C)=C2)O1	REAL300000237060	0	42	0.0	-75.15	349.44	10.67	-64.48
C[NH+](C)CC1=CC=CC(C(=O)C=CC2=CC=C(C3=CC=C(C(=O)[O-])C=C3)S2)=C1	REAL300000237061	0	49	0.0	-78.51	414.93	14.46	-64.05
CN1N=C(C(=O)[O-])C=C1C=CC(=O)C1=CC(C[NH+](C)C)=CC=C1	REAL300000237062	0	42	0.0	-80.89	350.07	9.41	-71.48
C[NH+](C)CC1=CC=CC(C(=O)C=CC2=CC=C(C3=CC=C(O)C(C(=O)[O-])=C3)O2)=C1	REAL300000237063	0	50	0.0	-80.56	417.78	11.70	-68.86
C[NH+](C)CC1=CC=CC(C(=O)C=CC2=CN=CC(C(=O)[O-])=C2)=C1	REAL300000237064	0	41	0.0	-75.72	342.10	9.91	-65.81
C[NH+](C)CC1=CC=CC(C(=O)C=CC2=CC=C(C3=CC=CC(C(=O)[O-])=C3)S2)=C1	REAL300000237065	0	49	0.0	-79.06	415.17	14.50	-64.56
COC1=CC=C(C(=O)[O-])C=C1C=CC(=O)C1=CC=CC(C[NH+](C)C)=C1	REAL300000237066	0	46	0.0	-73.10	374.55	11.06	-62.04
C[NH+](C)CC1=CC=CC(C(=O)C=CC2=CSC3=CC=C(C(=O)[O-])C=C23)=C1	REAL300000237067	0	45	0.0	-82.17	381.82	13.01	-69.16
C[NH+](C)CC1=CC=CC(C(=O)C=CC2=CC(C(=O)[O-])=CC=C2Br)=C1	REAL300000237068	0	42	0.0	-68.75	365.23	12.20	-56.55
C[NH+](C)CC1=CC=CC(C(=O)C=CC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300000237069	0	44	0.0	-77.33	372.66	12.29	-65.04
C[NH+](C)CC1=CC=CC(C(=O)C=CC2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300000237070	0	45	0.0	-76.86	369.18	12.47	-64.39
COC1=CC(C=CC(=O)C2=CC=CC(C[NH+](C)C)=C2)=CC=C1C(=O)[O-]	REAL300000237071	0	46	0.0	-83.90	374.19	11.77	-72.13
C[NH+](C)CC1=CC=CC(C(=O)C=CC2=C(F)C=C(C(=O)[O-])C=C2F)=C1	REAL300000237072	0	42	0.0	-69.03	360.71	11.88	-57.15
C[NH+](C)CC1=CC=CC(C(=O)C=CC2=C(F)C=CC(C(=O)[O-])=C2F)=C1	REAL300000237073	0	42	0.0	-74.68	358.11	11.81	-62.87
C[NH+](C)CC1=CC=CC(C(=O)C=CC2=CC=C(C3=CC=CC(CC(=O)[O-])=C3)C=C2)=C1	REAL300000237074	0	55	0.0	-76.76	443.11	15.88	-60.88
C[NH+](C)CC1=CC=CC(C(=O)C=CC2=CSC(C(=O)[O-])=C2)=C1	REAL300000237075	0	39	0.0	-77.04	338.32	10.82	-66.22
CCOC1=CC(C=CC(=O)C2=CC=CC(C[NH+](C)C)=C2)=CC=C1OCC(=O)[O-]	REAL300000237076	0	53	0.0	-81.01	428.39	12.65	-68.36
C[NH+](C)CC1=CC=CC(C(=O)C=CC2=CC(F)=C(C(=O)[O-])C(F)=C2)=C1	REAL300000237077	0	42	0.0	-82.70	356.03	11.74	-70.96
C[NH+](C)CC1=CC=CC(C(=O)C=CC2=CC3=C(C=C(C(=O)[O-])N3)O2)=C1	REAL300000237078	0	43	0.0	-72.75	362.80	9.94	-62.81
C[NH+](C)CC1=CC=CC(C(=O)C=CC2=CC=C3OC(C(=O)[O-])=CC3=C2)=C1	REAL300000237079	0	45	0.0	-79.86	375.59	12.44	-67.42
C[NH+](C)CC1=CC=CC(C(=O)C=CC2=CC=CN3C(C(=O)[O-])=CN=C23)=C1	REAL300000237080	0	45	0.0	-77.53	369.92	12.58	-64.95
CC1=C(C(=O)[O-])C2=CC=CC=C2N=C1C=CC(=O)C1=CC=CC(C[NH+](C)C)=C1	REAL300000237081	0	50	0.0	-82.87	406.91	12.85	-70.02
C[NH+](C)CC1=CC=CC(C(=O)C=CC2=CN=C3C=CC(C(=O)[O-])=CN23)=C1	REAL300000237082	0	45	0.0	-73.16	373.73	12.12	-61.04
C[NH+](C)CC1=CC=CC(C(=O)C=CC2=CC=C(N3C=NC(C(=O)[O-])=C3)C=C2)=C1	REAL300000237083	0	49	0.0	-86.59	404.09	13.99	-72.60
C[NH+](C)CC1=CC=CC(C(=O)C=CC2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300000237084	0	42	0.0	-86.33	350.64	11.70	-74.63
C[NH+](C)CC1=CC=CC(C(=O)C=CC2=CC=C(OCC(=O)[O-])C(Cl)=C2)=C1	REAL300000237085	0	46	0.0	-75.69	393.34	12.52	-63.17
C[NH+](C)CC1=CC=CC(C(=O)C=CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C1	REAL300000237086	0	52	0.0	-76.24	420.97	15.09	-61.15
COC1=CC(C(=O)[O-])=CC=C1C=CC(=O)C1=CC=CC(C[NH+](C)C)=C1	REAL300000237087	0	46	0.0	-77.13	375.21	11.05	-66.08
C[NH+](C)CC1=CC=CC(C(=O)C=CC2=C3C=C(C(=O)[O-])SC3=CC=C2F)=C1	REAL300000237088	0	45	0.0	-75.04	392.23	13.29	-61.75
CCN(C)C1=CC=C(C=CC2=CC(C(=O)[O-])=NC(C3=CC=C(Cl)C=C3)=N2)C=[NH+]1	REAL300000238535	1	47	0.0	-67.84	407.48	13.08	-54.76
NC1=CC=C(C=CC2=CC(C(=O)[O-])=NC(C3=CC=C(Cl)C=C3)=N2)C=[NH+]1	REAL300000238604	0	38	0.0	-74.12	349.14	9.40	-64.72
COC1=CC(C)=[NH+]C=C1C=CC1=CC(C(=O)[O-])=NC(C2=CC=C(Cl)C=C2)=N1	REAL300000238825	1	43	0.0	-70.76	384.38	10.60	-60.16
CC(C)C1=[NH+]C(C=CC2=NC(C(=O)[O-])=C(Br)S2)=C2C=CC=CN21	REAL300000239520	1	37	0.0	-65.30	345.52	10.64	-54.66
CCN(C)C1=CC=C(C=CC2=NC(C(=O)[O-])=C(Br)S2)C=[NH+]1	REAL300000239602	1	35	0.0	-68.00	323.77	8.83	-59.17
CC(C)N(C)C1=CC=C(C=CC2=NC(C(=O)[O-])=C(Br)S2)C=[NH+]1	REAL300000239666	1	38	0.0	-70.71	340.02	9.37	-61.34
COCCN(C)C1=CC=C(C=CC2=NC(C(=O)[O-])=C(Br)S2)C=[NH+]1	REAL300000239667	1	39	0.0	-66.89	354.08	8.18	-58.71
C[NH+](C)CC1=CN=C(C=CC2=NC(C(=O)[O-])=C(Br)S2)S1	REAL300000239673	0	32	0.0	-80.84	319.38	7.16	-73.68
NC1=CC=C(C=CC2=NC(C(=O)[O-])=C(Br)S2)C=[NH+]1	REAL300000239720	0	26	0.0	-75.51	265.44	5.14	-70.37
O=C([O-])C1=C(Br)SC(C=CC2=CC=NN2C2=CC=[NH+]C=C2)=N1	REAL300000239817	1	31	0.0	-77.34	309.44	7.35	-69.99
CN(CCO)C1=CC=C(C=CC2=NC(C(=O)[O-])=C(Br)S2)C=[NH+]1	REAL300000240023	1	36	0.0	-67.15	331.84	5.78	-61.37
COC1=CC(C)=[NH+]C=C1C=CC1=NC(C(=O)[O-])=C(Br)S1	REAL300000240117	1	31	0.0	-70.15	300.58	6.33	-63.82
C[NH+]1CCN(C2=CC=C(C=C3CCCC4=CC(C(=O)[O-])=CC=C4C3=O)C=C2)CC1	REAL300000241911	0	55	0.0	-77.25	415.47	12.38	-64.87
CCN(C)C1=CC=C(C=C2CCCC3=CC(C(=O)[O-])=CC=C3C2=O)C=[NH+]1	REAL300000241945	1	48	0.0	-69.27	375.12	12.45	-56.82
CC(C)N(C)C1=CC=C(C=C2CCCC3=CC(C(=O)[O-])=CC=C3C2=O)C=[NH+]1	REAL300000241999	1	51	0.0	-68.93	391.46	12.96	-55.97
COCCN(C)C1=CC=C(C=C2CCCC3=CC(C(=O)[O-])=CC=C3C2=O)C=[NH+]1	REAL300000242000	1	52	0.0	-71.56	406.49	11.61	-59.95
C[NH+](C)CC1=CN=C(C=C2CCCC3=CC(C(=O)[O-])=CC=C3C2=O)S1	REAL300000242007	1	45	0.0	-79.72	368.91	11.22	-68.50
NC1=CC=C(C=C2CCCC3=CC(C(=O)[O-])=CC=C3C2=O)C=[NH+]1	REAL300000242048	0	39	0.0	-72.99	316.76	8.75	-64.24
CN(CCO)C1=CC=C(C=C2CCCC3=CC(C(=O)[O-])=CC=C3C2=O)C=[NH+]1	REAL300000242313	1	49	0.0	-71.83	384.24	9.20	-62.63
COC1=CC(C)=[NH+]C=C1C=C1CCCC2=CC(C(=O)[O-])=CC=C2C1=O	REAL300000242395	1	44	0.0	-66.37	352.86	9.84	-56.53
NC1=CC=C(C=CC2=CC(C(=O)[O-])=C3C=NN(CC4=CC=CS4)C3=N2)C=[NH+]1	REAL300000243607	0	42	0.0	-69.21	375.85	9.57	-59.64
CC1=NN(C)C2=NC(C=CC3=C4C=CC=CN4C(C(C)C)=[NH+]3)=CC(C(=O)[O-])=C12	REAL300000244015	1	49	0.0	-63.02	406.27	12.79	-50.23
CC1=NN(C)C2=NC(C=CC3=CC=C(N(C)C(C)C)[NH+]=C3)=CC(C(=O)[O-])=C12	REAL300000244162	1	50	0.0	-65.75	400.47	11.46	-54.29
COCCN(C)C1=CC=C(C=CC2=CC(C(=O)[O-])=C3C(C)=NN(C)C3=N2)C=[NH+]1	REAL300000244164	1	51	0.0	-67.35	413.25	10.06	-57.29
CC1=NN(C)C2=NC(C=CC3=CC=C(N)[NH+]=C3)=CC(C(=O)[O-])=C12	REAL300000244218	0	38	0.0	-70.21	326.05	7.25	-62.96
CC1=NN(C)C2=NC(C=CC3=CC=NN3C3=CC=[NH+]C=C3)=CC(C(=O)[O-])=C12	REAL300000244314	1	43	0.0	-74.81	370.20	9.49	-65.32
CC1=NN(C)C2=NC(C=CC3=CC=C(N(C)CCO)[NH+]=C3)=CC(C(=O)[O-])=C12	REAL300000244519	1	48	0.0	-67.61	391.00	7.65	-59.96
COC1=CC(C)=[NH+]C=C1C=CC1=CC(C(=O)[O-])=C2C(C)=NN(C)C2=N1	REAL300000244612	1	43	0.0	-69.85	361.35	8.46	-61.39
CCC(C)N1N=CC2=C(C(=O)[O-])C=C(C=CC3=CC=C(N(C)CC)[NH+]=C3)N=C21	REAL300000245171	1	53	0.0	-64.41	423.23	12.47	-51.94
CCC(C)N1N=CC2=C(C(=O)[O-])C=C(C=CC3=CC=C(N(C)C(C)C)[NH+]=C3)N=C21	REAL300000245222	1	56	0.0	-64.01	439.40	13.00	-51.01
CCC(C)N1N=CC2=C(C(=O)[O-])C=C(C=CC3=NC=C(C[NH+](C)C)S3)N=C21	REAL300000245227	0	50	0.0	-76.06	418.87	10.85	-65.21
CCC(C)N1N=CC2=C(C(=O)[O-])C=C(C=CC3=CC=C(N)[NH+]=C3)N=C21	REAL300000245264	0	44	0.0	-68.33	364.81	8.78	-59.55
CCC(C)N1N=CC2=C(C(=O)[O-])C=C(C=CC3=CC=NN3C3=CC=[NH+]C=C3)N=C21	REAL300000245348	1	49	0.0	-75.15	408.75	11.01	-64.14
CCC(C)N1N=CC2=C(C(=O)[O-])C=C(C=CC3=CC=C(N(C)CCO)[NH+]=C3)N=C21	REAL300000245514	1	54	0.0	-67.36	432.42	9.25	-58.11
CCC(C)N1N=CC2=C(C(=O)[O-])C=C(C=CC3=C[NH+]=C(C)C=C3OC)N=C21	REAL300000245580	1	49	0.0	-67.89	400.11	10.01	-57.88
CN1N=CC2=C(C(=O)[O-])C=C(C=CC3=CC=C(N4CC[NH+](C)CC4)C(F)=C3)N=C21	REAL300000245906	1	51	0.0	-77.49	412.85	10.53	-66.96
CC(C)C1=[NH+]C(C=CC2=CC(C(=O)[O-])=C3C=NN(C)C3=N2)=C2C=CC=CN21	REAL300000246086	1	46	0.0	-60.66	384.12	12.12	-48.54
CN1N=CC2=C(C(=O)[O-])C=C(C=CC3=CC=C(N4CC[NH+](C)CC4)C=C3)N=C21	REAL300000246141	0	51	0.0	-76.14	402.79	10.23	-65.91
CCN(C)C1=CC=C(C=CC2=CC(C(=O)[O-])=C3C=NN(C)C3=N2)C=[NH+]1	REAL300000246183	1	44	0.0	-65.81	362.38	10.30	-55.51
CC(C)N(C)C1=CC=C(C=CC2=CC(C(=O)[O-])=C3C=NN(C)C3=N2)C=[NH+]1	REAL300000246263	1	47	0.0	-65.03	378.56	10.81	-54.22
COCCN(C)C1=CC=C(C=CC2=CC(C(=O)[O-])=C3C=NN(C)C3=N2)C=[NH+]1	REAL300000246266	1	48	0.0	-66.36	393.76	9.46	-56.90
CN1N=CC2=C(C(=O)[O-])C=C(C=CC3=NC=C(C[NH+](C)C)S3)N=C21	REAL300000246275	0	41	0.0	-74.80	358.36	8.58	-66.22
CN1N=CC2=C(C(=O)[O-])C=C(C=CC3=CC=NN3C3=CC=[NH+]C=C3)N=C21	REAL300000246437	1	40	0.0	-72.79	347.83	8.82	-63.97
CN(CCO)C1=CC=C(C=CC2=CC(C(=O)[O-])=C3C=NN(C)C3=N2)C=[NH+]1	REAL300000246693	1	45	0.0	-66.66	371.51	7.06	-59.60
COC1=CC(C)=[NH+]C=C1C=CC1=CC(C(=O)[O-])=C2C=NN(C)C2=N1	REAL300000246810	1	40	0.0	-67.36	339.19	7.80	-59.56
C[NH+]1CCN(C2=CC=C(C=CC3=CN=C(C(=O)[O-])C=N3)C=C2F)CC1	REAL300000247270	1	44	0.0	-81.76	361.45	7.93	-73.83
CC(C)C1=[NH+]C(C=CC2=CN=C(C(=O)[O-])C=N2)=C2C=CC=CN21	REAL300000247416	1	39	0.0	-66.93	332.00	9.45	-57.48
C[NH+]1CCN(C2=CC=C(C=CC3=CN=C(C(=O)[O-])C=N3)C=C2)CC1	REAL300000247458	0	44	0.0	-81.23	351.39	7.62	-73.61
COCCN(C)C1=CC=C(C=CC2=CN=C(C(=O)[O-])C=N2)C=[NH+]1	REAL300000247539	1	41	0.0	-72.68	342.29	6.83	-65.85
CN(CCO)C1=CC=C(C=CC2=CN=C(C(=O)[O-])C=N2)C=[NH+]1	REAL300000247824	1	38	0.0	-73.07	320.03	4.43	-68.64
CC(C)OC1=CC=C(C(=O)[O-])C=C1C(=O)C=CC1=C2C=CC=CN2C(C(C)C)=[NH+]1	REAL300000250090	1	53	0.0	-56.87	427.32	14.76	-42.11
CCN(C)C1=CC=C(C=CC(=O)C2=CC(C(=O)[O-])=CC=C2OC(C)C)C=[NH+]1	REAL300000250172	1	51	0.0	-56.98	406.35	12.98	-44.00
CC(C)OC1=CC=C(C(=O)[O-])C=C1C(=O)C=CC1=CC=C(N(C)C(C)C)[NH+]=C1	REAL300000250236	1	54	0.0	-56.47	422.35	13.49	-42.98
COCCN(C)C1=CC=C(C=CC(=O)C2=CC(C(=O)[O-])=CC=C2OC(C)C)C=[NH+]1	REAL300000250237	1	55	0.0	-57.59	437.72	12.14	-45.45
CC(C)OC1=CC=C(C(=O)[O-])C=C1C(=O)C=CC1=NC=C(C[NH+](C)C)S1	REAL300000250243	1	48	0.0	-75.66	401.96	11.22	-64.44
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CC(C)OC1=CC=C(C(=O)[O-])C=C1C(=O)C=CC1=CC=NN1C1=CC=[NH+]C=C1	REAL300000250387	1	47	0.0	-71.32	392.11	11.53	-59.79
CC(C)OC1=CC=C(C(=O)[O-])C=C1C(=O)C=CC1=CC=C(N(C)CCO)[NH+]=C1	REAL300000250593	1	52	0.0	-57.92	415.47	9.74	-48.18
COC1=CC(C)=[NH+]C=C1C=CC(=O)C1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300000250687	1	47	0.0	-59.55	383.98	10.52	-49.03
C[NH+]1CCN(C2=CC=C(C=CC3=NC=C(C=CC(=O)[O-])S3)C=C2F)CC1	REAL300000251555	1	46	0.0	-83.59	391.59	8.60	-74.99
CC(C)C1=[NH+]C(C=CC2=NC=C(C=CC(=O)[O-])S2)=C2C=CC=CN21	REAL300000251737	1	41	0.0	-72.68	361.43	10.09	-62.59
C[NH+]1CCN(C2=CC=C(C=CC3=NC=C(C=CC(=O)[O-])S3)C=C2)CC1	REAL300000251795	0	46	0.0	-83.84	381.53	8.28	-75.56
CCN(C)C1=CC=C(C=CC2=NC=C(C=CC(=O)[O-])S2)C=[NH+]1	REAL300000251837	1	39	0.0	-75.06	341.05	8.34	-66.72
CC(C)N(C)C1=CC=C(C=CC2=NC=C(C=CC(=O)[O-])S2)C=[NH+]1	REAL300000251913	1	42	0.0	-74.64	357.22	8.86	-65.78
COCCN(C)C1=CC=C(C=CC2=NC=C(C=CC(=O)[O-])S2)C=[NH+]1	REAL300000251916	1	43	0.0	-76.52	372.43	7.49	-69.03
C[NH+](C)CC1=CN=C(C=CC2=NC=C(C=CC(=O)[O-])S2)S1	REAL300000251928	0	36	0.0	-82.49	337.12	6.63	-75.86
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CN(CCO)C1=CC=C(C=CC2=NC=C(C=CC(=O)[O-])S2)C=[NH+]1	REAL300000252319	1	40	0.0	-76.92	350.18	5.08	-71.84
COC1=CC(C)=[NH+]C=C1C=CC1=NC=C(C=CC(=O)[O-])S1	REAL300000252440	1	35	0.0	-78.83	317.96	5.85	-72.98
CC1=CC=C(C(=O)[O-])C=C1C(=O)C=CC1=CC=C(N2CC[NH+](C)CC2)C(F)=C1	REAL300000253721	1	51	0.0	-78.90	405.95	11.85	-67.05
CC1=CC=C(C(=O)[O-])C=C1C(=O)C=CC1=C2C=CC=CN2C(C(C)C)=[NH+]1	REAL300000253906	1	46	0.0	-56.63	376.38	13.38	-43.25
CC1=CC=C(C(=O)[O-])C=C1C(=O)C=CC1=CC=C(N2CC[NH+](C)CC2)C=C1	REAL300000253964	0	51	0.0	-73.34	395.73	11.54	-61.80
CCN(C)C1=CC=C(C=CC(=O)C2=CC(C(=O)[O-])=CC=C2C)C=[NH+]1	REAL300000254007	1	44	0.0	-56.47	355.40	11.59	-44.88
CC1=CC=C(C(=O)[O-])C=C1C(=O)C=CC1=CC=C(N(C)C(C)C)[NH+]=C1	REAL300000254086	1	47	0.0	-56.00	371.37	12.11	-43.89
COCCN(C)C1=CC=C(C=CC(=O)C2=CC(C(=O)[O-])=CC=C2C)C=[NH+]1	REAL300000254089	1	48	0.0	-57.04	386.77	10.76	-46.28
CC1=CC=C(C(=O)[O-])C=C1C(=O)C=CC1=NC=C(C[NH+](C)C)S1	REAL300000254100	1	41	0.0	-75.84	350.60	9.89	-65.95
CC1=CC=C(C(=O)[O-])C=C1C(=O)C=CC1=CC=NN1C1=CC=[NH+]C=C1	REAL300000254261	1	40	0.0	-72.25	341.61	10.16	-62.09
CC1=CC=C(C(=O)[O-])C=C1C(=O)C=CC1=CC=C(N(C)CCO)[NH+]=C1	REAL300000254511	1	45	0.0	-57.36	364.53	8.35	-49.01
COC1=CC(C)=[NH+]C=C1C=CC(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300000254636	1	40	0.0	-58.80	332.34	9.12	-49.68
C[NH+]1CCN(C2=CC=C(C=CC(=O)C3=CN=CC(C(=O)[O-])=C3)C=C2F)CC1	REAL300000255885	1	47	0.0	-81.76	385.08	9.37	-72.39
CC(C)C1=[NH+]C(C=CC(=O)C2=CN=CC(C(=O)[O-])=C2)=C2C=CC=CN21	REAL300000256065	1	42	0.0	-71.11	355.50	10.92	-60.19
C[NH+]1CCN(C2=CC=C(C=CC(=O)C3=CN=CC(C(=O)[O-])=C3)C=C2)CC1	REAL300000256122	0	47	0.0	-83.14	374.86	9.06	-74.08
CCN(C)C1=CC=C(C=CC(=O)C2=CN=CC(C(=O)[O-])=C2)C=[NH+]1	REAL300000256162	1	40	0.0	-75.26	334.55	9.12	-66.14
CC(C)N(C)C1=CC=C(C=CC(=O)C2=CN=CC(C(=O)[O-])=C2)C=[NH+]1	REAL300000256233	1	43	0.0	-74.84	350.72	9.65	-65.19
COCCN(C)C1=CC=C(C=CC(=O)C2=CN=CC(C(=O)[O-])=C2)C=[NH+]1	REAL300000256236	1	44	0.0	-76.89	365.92	8.29	-68.60
C[NH+](C)CC1=CN=C(C=CC(=O)C2=CN=CC(C(=O)[O-])=C2)S1	REAL300000256248	1	37	0.0	-80.39	329.75	7.42	-72.97
O=C([O-])C1=CN=CC(C(=O)C=CC2=CC=NN2C2=CC=[NH+]C=C2)=C1	REAL300000256387	1	36	0.0	-74.78	320.44	7.68	-67.10
CN(CCO)C1=CC=C(C=CC(=O)C2=CN=CC(C(=O)[O-])=C2)C=[NH+]1	REAL300000256618	1	41	0.0	-77.34	343.67	5.88	-71.46
C[NH+]1CCN(C2=CC=C(C=C3CCC4=NC=C(C(=O)[O-])C=C4C3=O)C=C2F)CC1	REAL300000259718	1	51	0.0	-72.61	404.62	10.40	-62.21
CC(C)C1=[NH+]C(C=C2CCC3=NC=C(C(=O)[O-])C=C3C2=O)=C2C=CC=CN21	REAL300000259898	1	46	0.0	-61.34	374.26	12.32	-49.02
C[NH+]1CCN(C2=CC=C(C=C3CCC4=NC=C(C(=O)[O-])C=C4C3=O)C=C2)CC1	REAL300000259953	0	51	0.0	-74.74	394.38	10.08	-64.66
CCN(C)C1=CC=C(C=C2CCC3=NC=C(C(=O)[O-])C=C3C2=O)C=[NH+]1	REAL300000259995	1	44	0.0	-66.05	354.06	10.15	-55.90
CC(C)N(C)C1=CC=C(C=C2CCC3=NC=C(C(=O)[O-])C=C3C2=O)C=[NH+]1	REAL300000260075	1	47	0.0	-65.69	371.06	10.66	-55.03
COCCN(C)C1=CC=C(C=C2CCC3=NC=C(C(=O)[O-])C=C3C2=O)C=[NH+]1	REAL300000260078	1	48	0.0	-68.67	385.46	9.32	-59.35
C[NH+](C)CC1=CN=C(C=C2CCC3=NC=C(C(=O)[O-])C=C3C2=O)S1	REAL300000260087	1	41	0.0	-79.11	347.75	8.95	-70.16
O=C([O-])C1=CN=C2CCC(=CC3=CC=NN3C3=CC=[NH+]C=C3)C(=O)C2=C1	REAL300000260249	1	40	0.0	-69.90	337.31	8.66	-61.24
CN(CCO)C1=CC=C(C=C2CCC3=NC=C(C(=O)[O-])C=C3C2=O)C=[NH+]1	REAL300000260505	1	45	0.0	-64.68	362.10	7.10	-57.58
COC1=CC(C)=[NH+]C=C1C=C1CCC2=NC=C(C(=O)[O-])C=C2C1=O	REAL300000260622	1	40	0.0	-61.58	331.83	7.54	-54.04
CCN(C)C1=CC=C(C=C(OC2=CC=C(C=O)C=C2)C2=CC=C(C(=O)[O-])O2)C=[NH+]1	REAL300000262196	1	49	0.0	-48.11	409.84	12.04	-36.07
C[NH+](C)CC1=CN=C(C=C(OC2=CC=C(C=O)C=C2)C2=CC=C(C(=O)[O-])O2)S1	REAL300000262234	1	46	0.0	-67.42	406.78	11.27	-56.15
NC1=CC=C(C=C(OC2=CC=C(C=O)C=C2)C2=CC=C(C(=O)[O-])O2)C=[NH+]1	REAL300000262266	1	40	0.0	-48.00	350.94	8.34	-39.66
CN(C)C1=[NH+]C=CC=C1C=C(OC1=CC=C(C=O)C=C1)C1=CC=C(C(=O)[O-])O1	REAL300000262268	1	46	0.0	-51.47	392.16	10.23	-41.24
COC1=CC(C)=[NH+]C=C1C=C(OC1=CC=C(C=O)C=C1)C1=CC=C(C(=O)[O-])O1	REAL300000262494	1	45	0.0	-46.97	388.40	9.62	-37.35
C[NH+]1CCN(C2=CC=C(C=C(CC(=O)[O-])C3=CC=C(C=O)O3)C=C2F)CC1	REAL300000264528	1	48	0.0	-79.14	390.62	10.47	-68.67
CC(C)C1=[NH+]C(C=C(CC(=O)[O-])C2=CC=C(C=O)O2)=C2C=CC=CN21	REAL300000264711	1	43	0.0	-52.15	360.07	12.56	-39.59
C[NH+]1CCN(C2=CC=C(C=C(CC(=O)[O-])C3=CC=C(C=O)O3)C=C2)CC1	REAL300000264768	0	48	0.0	-85.96	380.30	10.13	-75.83
CCN(C)C1=CC=C(C=C(CC(=O)[O-])C2=CC=C(C=O)O2)C=[NH+]1	REAL300000264809	1	41	0.0	-69.57	340.14	10.24	-59.33
CC(C)N(C)C1=CC=C(C=C(CC(=O)[O-])C2=CC=C(C=O)O2)C=[NH+]1	REAL300000264885	1	44	0.0	-67.37	356.27	10.74	-56.63
COCCN(C)C1=CC=C(C=C(CC(=O)[O-])C2=CC=C(C=O)O2)C=[NH+]1	REAL300000264888	1	45	0.0	-71.75	371.52	9.38	-62.37
C[NH+](C)CC1=CN=C(C=C(CC(=O)[O-])C2=CC=C(C=O)O2)S1	REAL300000264900	0	38	0.0	-72.30	336.74	8.75	-63.55
O=CC1=CC=C(C(=CC2=CC=NN2C2=CC=[NH+]C=C2)CC(=O)[O-])O1	REAL300000265047	1	37	0.0	-88.05	323.57	8.67	-79.38
CN(CCO)C1=CC=C(C=C(CC(=O)[O-])C2=CC=C(C=O)O2)C=[NH+]1	REAL300000265289	1	42	0.0	-72.39	349.27	6.98	-65.41
COC1=CC(C)=[NH+]C=C1C=C(CC(=O)[O-])C1=CC=C(C=O)O1	REAL300000265410	1	37	0.0	-44.05	317.21	7.01	-37.04
CCN(C)C1=CC=C(C=CC2=NC(C(=O)[O-])=C(C3=CC=C(F)C=C3)S2)C=[NH+]1	REAL300000266145	1	45	0.0	-67.95	390.34	12.11	-55.84
CC(C)N(C)C1=CC=C(C=CC2=NC(C(=O)[O-])=C(C3=CC=C(F)C=C3)S2)C=[NH+]1	REAL300000266189	1	48	0.0	-67.41	406.36	12.64	-54.77
C[NH+](C)CC1=CN=C(C=CC2=NC(C(=O)[O-])=C(C3=CC=C(F)C=C3)S2)S1	REAL300000266194	0	42	0.0	-76.03	386.39	10.40	-65.63
NC1=CC=C(C=CC2=NC(C(=O)[O-])=C(C3=CC=C(F)C=C3)S2)C=[NH+]1	REAL300000266228	0	36	0.0	-72.45	331.92	8.42	-64.03
O=C([O-])C1=C(C2=CC=C(F)C=C2)SC(C=CC2=CC=NN2C2=CC=[NH+]C=C2)=N1	REAL300000266308	1	41	0.0	-60.80	375.60	10.65	-50.15
CN(CCO)C1=CC=C(C=CC2=NC(C(=O)[O-])=C(C3=CC=C(F)C=C3)S2)C=[NH+]1	REAL300000266465	1	46	0.0	-70.05	399.46	8.86	-61.19
COC1=CC(C)=[NH+]C=C1C=CC1=NC(C(=O)[O-])=C(C2=CC=C(F)C=C2)S1	REAL300000266527	1	41	0.0	-75.34	367.21	9.63	-65.71
CCN(C)C1=CC=C(C=C(OC2=CC=CC=C2C=O)C2=CC=C(C(=O)[O-])O2)C=[NH+]1	REAL300000266826	1	49	0.0	-56.36	407.91	13.33	-43.03
C[NH+](C)CC1=CN=C(C=C(OC2=CC=CC=C2C=O)C2=CC=C(C(=O)[O-])O2)S1	REAL300000266858	1	46	0.0	-70.79	403.79	12.16	-58.63
NC1=CC=C(C=C(OC2=CC=CC=C2C=O)C2=CC=C(C(=O)[O-])O2)C=[NH+]1	REAL300000266885	1	40	0.0	-48.34	348.27	9.54	-38.80
COC1=CC(C)=[NH+]C=C1C=C(OC1=CC=CC=C1C=O)C1=CC=C(C(=O)[O-])O1	REAL300000267080	1	45	0.0	-43.46	387.61	9.67	-33.79
O=C([O-])C1=CC=C(NNC(=S)NCCC[NH+]2CCOCC2)C=C1	REAL300000270473	1	45	0.0	-87.64	366.60	7.51	-80.13
CC[N@@H+]1CCCC1CNC(=S)NNC1=CC=C(C(=O)[O-])C=C1	REAL300000270522	0	44	0.0	-80.83	356.45	9.09	-71.74
CC[N@H+]1CCCC1CNC(=S)NNC1=CC=C(C(=O)[O-])C=C1	REAL300000270522	1	44	0.0	-81.27	350.63	8.68	-72.59
O=C([O-])C1=CC=C(NNC(=S)NC2CC[NH+](CC3=CC=CC=C3)CC2)C=C1	REAL300000270530	0	51	0.0	-84.36	410.22	11.96	-72.40
C[NH+]1CCC(NC(=S)NNC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300000270531	0	41	0.0	-83.49	333.73	8.39	-75.10
C[NH+](C)CC(C)(C)CNC(=S)NNC1=CC=C(C(=O)[O-])C=C1	REAL300000270555	0	46	0.0	-83.24	358.88	9.40	-73.84
C[NH+]1CCC(CNC(=S)NNC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300000270577	0	44	0.0	-84.69	355.22	9.19	-75.50
C[NH+](C)CCCCNC(=S)NNC1=CC=C(C(=O)[O-])C=C1	REAL300000270586	0	43	0.0	-83.46	355.20	8.83	-74.63
C[NH+](C)CCCNC(=S)NNC1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000270602	0	40	0.0	-73.97	346.53	8.48	-65.49
C[NH+](C)CCNC(=S)NNC1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000270611	0	37	0.0	-73.83	325.03	7.70	-66.13
O=C([O-])C1=CC(NNC(=S)NCCC[NH+]2CCOCC2)=CC=C1Cl	REAL300000270614	1	45	0.0	-76.09	379.43	7.93	-68.16
CC[N@@H+]1CCCC1CNC(=S)NNC1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000270662	0	44	0.0	-70.16	363.17	9.09	-61.07
CC[N@H+]1CCCC1CNC(=S)NNC1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000270662	1	44	0.0	-70.44	363.45	9.09	-61.35
C[NH+]1CCC(NC(=S)NNC2=CC=C(Cl)C(C(=O)[O-])=C2)CC1	REAL300000270670	0	41	0.0	-73.28	346.54	8.80	-64.48
C[NH+](C)CC(C)(C)CNC(=S)NNC1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000270692	0	46	0.0	-72.68	371.71	9.81	-62.87
C[NH+]1CCC(CNC(=S)NNC2=CC=C(Cl)C(C(=O)[O-])=C2)CC1	REAL300000270712	0	44	0.0	-72.56	368.05	9.60	-62.96
C[NH+](C)CCCCNC(=S)NNC1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300000270725	0	43	0.0	-73.42	368.03	9.25	-64.17