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COC1=CC=C([C@@H]2C[N@@H+](CC3=CC=C(OC)N=N3)C[C@H]2C(=O)[O-])C=C1	REAL300010613969	1	46	0.0	-65.11	370.70	6.27	-58.84
COC1=CC=C([C@@H]2C[N@H+](CC3=CC(Cl)=CC(Cl)=C3)C[C@H]2C(=O)[O-])C=C1	REAL300010613970	0	44	0.0	-54.59	381.13	11.84	-42.75
COC1=CC=C([C@@H]2C[N@@H+](CC3=CC(Cl)=CC(Cl)=C3)C[C@H]2C(=O)[O-])C=C1	REAL300010613970	1	44	0.0	-56.61	381.57	11.86	-44.75
COC1=CC=C([C@@H]2C[N@@H+](C(C)C3=CC=C(C(C)C)C=C3)C[C@H]2C(=O)[O-])C=C1	REAL300010613971	0	56	0.0	-49.89	424.00	13.42	-36.47
COC1=CC=C([C@@H]2C[N@H+](C(C)C3=CC=C(C(C)C)C=C3)C[C@H]2C(=O)[O-])C=C1	REAL300010613971	1	56	0.0	-44.71	423.91	13.43	-31.28
COC1=CC=C([C@@H]2C[N@@H+](C(C)C3=CC(Cl)=CC=C3Cl)C[C@H]2C(=O)[O-])C=C1	REAL300010613972	0	47	0.0	-49.25	391.80	12.31	-36.94
COC1=CC=C([C@@H]2C[N@H+](C(C)C3=CC(Cl)=CC=C3Cl)C[C@H]2C(=O)[O-])C=C1	REAL300010613972	1	47	0.0	-41.96	391.86	12.33	-29.63
CCCOC1=CC=CC(C[N@H+]2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)=C1	REAL300010613973	0	54	0.0	-51.08	420.41	11.84	-39.24
CCCOC1=CC=CC(C[N@@H+]2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)=C1	REAL300010613973	1	54	0.0	-52.89	420.98	11.86	-41.03
COC1=CC=C([C@@H]2C[N@H+](CCC3=CC(Cl)=CC(Cl)=C3)C[C@H]2C(=O)[O-])C=C1	REAL300010613974	0	47	0.0	-50.55	403.73	12.69	-37.86
COC1=CC=C([C@@H]2C[N@@H+](CCC3=CC(Cl)=CC(Cl)=C3)C[C@H]2C(=O)[O-])C=C1	REAL300010613974	1	47	0.0	-58.81	403.46	12.68	-46.13
COC1=CC=C([C@@H]2C[N@H+](CC3=CC=C(C4CCCC4)C=C3)C[C@H]2C(=O)[O-])C=C1	REAL300010613975	0	57	0.0	-52.20	430.15	14.01	-38.19
COC1=CC=C([C@@H]2C[N@@H+](CC3=CC=C(C4CCCC4)C=C3)C[C@H]2C(=O)[O-])C=C1	REAL300010613975	1	57	0.0	-53.19	431.42	14.01	-39.18
COC1=CC=C([C@@H]2C[N@H+](CC3=CC=C(C4CCCCC4)C=C3)C[C@H]2C(=O)[O-])C=C1	REAL300010613976	0	60	0.0	-52.16	447.75	14.61	-37.55
COC1=CC=C([C@@H]2C[N@@H+](CC3=CC=C(C4CCCCC4)C=C3)C[C@H]2C(=O)[O-])C=C1	REAL300010613976	1	60	0.0	-52.61	449.19	14.61	-38.00
CCS(=O)(=O)NCCC[N@H+]1C[C@@H](C2=CC=C(OC)C=C2)[C@H](C(=O)[O-])C1	REAL300010613977	0	51	0.0	-60.26	410.21	5.71	-54.55
CCS(=O)(=O)NCCC[N@@H+]1C[C@@H](C2=CC=C(OC)C=C2)[C@H](C(=O)[O-])C1	REAL300010613977	1	51	0.0	-64.13	410.04	5.69	-58.44
COC1=CC=C([C@@H]2C[N@H+](CC3=CC(Cl)=CC=C3OC)C[C@H]2C(=O)[O-])C=C1	REAL300010613978	0	48	0.0	-50.50	391.62	10.81	-39.69
COC1=CC=C([C@@H]2C[N@@H+](CC3=CC(Cl)=CC=C3OC)C[C@H]2C(=O)[O-])C=C1	REAL300010613978	1	48	0.0	-51.08	394.14	10.77	-40.31
COC1=CC=C([C@@H]2C[N@@H+](C(C)C3=CC=C(Cl)C(Cl)=C3)C[C@H]2C(=O)[O-])C=C1	REAL300010613979	0	47	0.0	-56.53	395.72	12.46	-44.07
COC1=CC=C([C@@H]2C[N@H+](C(C)C3=CC=C(Cl)C(Cl)=C3)C[C@H]2C(=O)[O-])C=C1	REAL300010613979	1	47	0.0	-50.12	393.64	12.40	-37.72
COC1=CC=C([C@@H]2C[N@H+](CCOCC(F)(F)C(F)F)C[C@H]2C(=O)[O-])C=C1	REAL300010613980	0	47	0.0	-56.16	385.45	9.59	-46.57
COC1=CC=C([C@@H]2C[N@@H+](CCOCC(F)(F)C(F)F)C[C@H]2C(=O)[O-])C=C1	REAL300010613980	1	47	0.0	-55.19	387.12	9.48	-45.71
COC1=CC=C([C@@H]2C[N@H+](CCCCOC(C)(C)C)C[C@H]2C(=O)[O-])C=C1	REAL300010613981	0	56	0.0	-51.19	419.86	10.56	-40.63
COC1=CC=C([C@@H]2C[N@@H+](CCCCOC(C)(C)C)C[C@H]2C(=O)[O-])C=C1	REAL300010613981	1	56	0.0	-54.53	421.37	10.60	-43.93
COC1=CC=C([C@@H]2C[N@@H+](C3CCC4=C(Cl)C=CC=C43)C[C@H]2C(=O)[O-])C=C1	REAL300010613982	0	48	0.0	-48.67	384.50	12.28	-36.39
COC1=CC=C([C@@H]2C[N@H+](C3CCC4=C(Cl)C=CC=C43)C[C@H]2C(=O)[O-])C=C1	REAL300010613982	1	48	0.0	-47.17	382.25	12.25	-34.92
COC1=CC=C([C@@H]2C[N@@H+](C3CCC4=C(F)C=CC=C43)C[C@H]2C(=O)[O-])C=C1	REAL300010613983	0	48	0.0	-49.54	374.58	11.85	-37.69
COC1=CC=C([C@@H]2C[N@H+](C3CCC4=C(F)C=CC=C43)C[C@H]2C(=O)[O-])C=C1	REAL300010613983	1	48	0.0	-48.17	372.32	11.83	-36.34
COC1=CC=C([C@@H]2C[N@@H+](C3CCC4=CC=C(F)C=C43)C[C@H]2C(=O)[O-])C=C1	REAL300010613984	0	48	0.0	-54.06	375.30	11.85	-42.21
COC1=CC=C([C@@H]2C[N@H+](C3CCC4=CC=C(F)C=C43)C[C@H]2C(=O)[O-])C=C1	REAL300010613984	1	48	0.0	-50.31	373.94	11.84	-38.47
COC1=CC=C([C@@H]2C[N@@H+](C3CCN(CC4=CC=CC=C4)C3)C[C@H]2C(=O)[O-])C=C1	REAL300010613985	0	56	0.0	-47.36	418.70	10.07	-37.29
COC1=CC=C([C@@H]2C[N@H+](C3CCN(CC4=CC=CC=C4)C3)C[C@H]2C(=O)[O-])C=C1	REAL300010613985	1	56	0.0	-51.01	422.63	10.41	-40.60
COC1=CC=C([C@@H]2C[N@@H+](C3CCCC4=CC=C(F)C=C43)C[C@H]2C(=O)[O-])C=C1	REAL300010613986	0	51	0.0	-47.24	383.57	12.30	-34.94
COC1=CC=C([C@@H]2C[N@H+](C3CCCC4=CC=C(F)C=C43)C[C@H]2C(=O)[O-])C=C1	REAL300010613986	1	51	0.0	-45.72	383.22	12.29	-33.43
CCCCCC[N@H+]1C[C@@H](C2=CC=C(OC)C=C2)[C@H](C(=O)[O-])C1	REAL300010613987	0	49	0.0	-46.93	374.77	11.00	-35.93
CCCCCC[N@@H+]1C[C@@H](C2=CC=C(OC)C=C2)[C@H](C(=O)[O-])C1	REAL300010613987	1	49	0.0	-52.11	374.21	10.96	-41.15
COC1=CC=C([C@@H]2C[N@H+](CC3=CC=C(Cl)C=C3)C[C@H]2C(=O)[O-])C=C1	REAL300010613988	0	44	0.0	-56.25	361.68	11.29	-44.96
COC1=CC=C([C@@H]2C[N@@H+](CC3=CC=C(Cl)C=C3)C[C@H]2C(=O)[O-])C=C1	REAL300010613988	1	44	0.0	-56.74	364.05	11.32	-45.42
COC1=CC=C([C@@H]2C[N@H+](CC3=CC=C([N+](=O)[O-])C=C3)C[C@H]2C(=O)[O-])C=C1	REAL300010613989	0	46	0.0	-67.22	373.18	11.44	-55.78
COC1=CC=C([C@@H]2C[N@@H+](CC3=CC=C([N+](=O)[O-])C=C3)C[C@H]2C(=O)[O-])C=C1	REAL300010613989	1	46	0.0	-67.81	375.92	11.48	-56.33
CCCCC(CC)C[N@H+]1C[C@@H](C2=CC=C(OC)C=C2)[C@H](C(=O)[O-])C1	REAL300010613990	0	55	0.0	-50.35	401.89	12.01	-38.34
CCCCC(CC)C[N@@H+]1C[C@@H](C2=CC=C(OC)C=C2)[C@H](C(=O)[O-])C1	REAL300010613990	1	55	0.0	-51.88	406.54	12.14	-39.74
COC1=CC=C([C@@H]2C[N@H+](CC3=CC=C(Br)C=C3)C[C@H]2C(=O)[O-])C=C1	REAL300010613991	0	44	0.0	-56.32	366.25	11.39	-44.93
COC1=CC=C([C@@H]2C[N@@H+](CC3=CC=C(Br)C=C3)C[C@H]2C(=O)[O-])C=C1	REAL300010613991	1	44	0.0	-56.81	368.62	11.43	-45.38
COC1=CC=C([C@@H]2C[N@H+](CC3=CC=C([N+](=O)[O-])C=C3)C[C@H]2C(=O)[O-])C=C1	REAL300010613992	0	46	0.0	-67.22	373.18	11.44	-55.78
COC1=CC=C([C@@H]2C[N@@H+](CC3=CC=C([N+](=O)[O-])C=C3)C[C@H]2C(=O)[O-])C=C1	REAL300010613992	1	46	0.0	-67.81	375.92	11.48	-56.33
COC1=CC=C([C@@H]2C[N@H+](CC3=CC=CC(Cl)=C3)C[C@H]2C(=O)[O-])C=C1	REAL300010613993	0	44	0.0	-52.34	364.30	11.34	-41.00
COC1=CC=C([C@@H]2C[N@@H+](CC3=CC=CC(Cl)=C3)C[C@H]2C(=O)[O-])C=C1	REAL300010613993	1	44	0.0	-53.97	364.67	11.34	-42.63
COC1=CC=C([C@@H]2C[N@H+](CC3=CC=C(Cl)C=C3Cl)C[C@H]2C(=O)[O-])C=C1	REAL300010613994	0	44	0.0	-52.02	378.82	11.88	-40.14
COC1=CC=C([C@@H]2C[N@@H+](CC3=CC=C(Cl)C=C3Cl)C[C@H]2C(=O)[O-])C=C1	REAL300010613994	1	44	0.0	-49.15	378.79	11.86	-37.29
COC1=CC=C([C@@H]2C[N@H+](CC3=CC=C(Cl)C(Cl)=C3)C[C@H]2C(=O)[O-])C=C1	REAL300010613995	0	44	0.0	-57.00	378.42	11.73	-45.27
COC1=CC=C([C@@H]2C[N@@H+](CC3=CC=C(Cl)C(Cl)=C3)C[C@H]2C(=O)[O-])C=C1	REAL300010613995	1	44	0.0	-61.12	379.97	11.81	-49.31
COC1=CC=C([C@@H]2C[N@H+](CC3=CC=C(F)C=C3)C[C@H]2C(=O)[O-])C=C1	REAL300010613996	0	44	0.0	-57.40	351.36	10.84	-46.56
COC1=CC=C([C@@H]2C[N@@H+](CC3=CC=C(F)C=C3)C[C@H]2C(=O)[O-])C=C1	REAL300010613996	1	44	0.0	-57.80	353.72	10.87	-46.93
COC1=CC=C([C@@H]2C[N@H+](CC3=C(F)C=CC=C3Cl)C[C@H]2C(=O)[O-])C=C1	REAL300010613997	0	44	0.0	-42.44	361.41	11.06	-31.38
COC1=CC=C([C@@H]2C[N@@H+](CC3=C(F)C=CC=C3Cl)C[C@H]2C(=O)[O-])C=C1	REAL300010613997	1	44	0.0	-48.56	361.19	11.05	-37.51
COC1=CC=C([C@@H]2C[N@H+](CC3=C(Cl)C=CC=C3Cl)C[C@H]2C(=O)[O-])C=C1	REAL300010613998	0	44	0.0	-44.28	368.68	11.51	-32.77
COC1=CC=C([C@@H]2C[N@@H+](CC3=C(Cl)C=CC=C3Cl)C[C@H]2C(=O)[O-])C=C1	REAL300010613998	1	44	0.0	-46.77	370.01	11.45	-35.32
COC1=CC=C([C@@H]2C[N@H+](CC3=C(C)C=C(C(C)(C)C)C=C3C)C[C@H]2C(=O)[O-])C=C1	REAL300010613999	0	62	0.0	-50.34	450.56	14.18	-36.16
COC1=CC=C([C@@H]2C[N@@H+](CC3=C(C)C=C(C(C)(C)C)C=C3C)C[C@H]2C(=O)[O-])C=C1	REAL300010613999	1	62	0.0	-50.86	450.16	13.96	-36.90
COC1=CC=C([C@@H]2C[N@H+](CC3=CC=CC([N+](=O)[O-])=C3)C[C@H]2C(=O)[O-])C=C1	REAL300010614000	0	46	0.0	-64.84	374.04	11.47	-53.37
COC1=CC=C([C@@H]2C[N@@H+](CC3=CC=CC([N+](=O)[O-])=C3)C[C@H]2C(=O)[O-])C=C1	REAL300010614000	1	46	0.0	-70.80	375.71	11.47	-59.33
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765608	0	43	0.0	-83.99	350.27	4.78	-79.21
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300010769062	0	40	0.0	-58.08	327.06	4.71	-53.37
CC(CC(=O)[O-])NS(=O)(=O)CCCN1CC[NH+](C)CC1	REAL300010769312	0	45	0.0	-81.01	351.25	2.26	-78.75
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)N(CC[NH+](C)C)N=C1C	REAL300010770226	0	50	0.0	-72.08	396.47	5.50	-66.58
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300010770271	0	44	0.0	-65.96	363.23	5.55	-60.41
COCCN(CC(=O)[O-])S(=O)(=O)CCC[NH+]1CCCC1	REAL300010770570	0	44	0.0	-83.21	352.78	4.57	-78.64
COCCN(CC(=O)[O-])S(=O)(=O)CCCN1CC[NH+](C)CC1	REAL300010770571	0	49	0.0	-83.43	385.32	2.82	-80.61
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771346	0	43	0.0	-76.77	347.38	3.24	-73.53
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773446	0	40	0.0	-73.72	329.82	2.74	-70.98
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774407	0	50	0.0	-89.47	376.95	5.23	-84.24
C[NH+](C)CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010774453	0	44	0.0	-89.59	341.72	6.18	-83.41
O=C([O-])C1(NS(=O)(=O)CCC[NH+]2CCCC2)CCCC1	REAL300010774756	0	44	0.0	-85.30	329.13	4.98	-80.32
C[NH+]1CCN(CCCS(=O)(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300010774757	0	49	0.0	-83.04	361.24	3.15	-79.89
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777057	0	47	0.0	-81.80	371.26	6.17	-75.63
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1	REAL300010777106	0	41	0.0	-89.96	333.74	6.90	-83.06
C[NH+]1CCN(CCCS(=O)(=O)N2CCCC2C(=O)[O-])CC1	REAL300010777390	0	46	0.0	-85.67	356.85	4.03	-81.64
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778285	0	52	0.0	-76.51	393.99	4.70	-71.81
C[NH+](C)CC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300010778325	0	46	0.0	-75.79	353.83	5.57	-70.22
CC(C)(CCC(=O)[O-])NS(=O)(=O)CCC[NH+]1CCCC1	REAL300010778595	0	46	0.0	-78.63	345.15	4.79	-73.84
C[NH+]1CCN(CCCS(=O)(=O)NC(C)(C)CCC(=O)[O-])CC1	REAL300010778596	0	51	0.0	-72.82	377.16	3.01	-69.81
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779526	0	48	0.0	-72.26	379.68	4.55	-67.71
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010779570	0	42	0.0	-77.36	344.71	5.35	-72.01
O=C([O-])C1CN(S(=O)(=O)CCC[NH+]2CCCC2)CCO1	REAL300010779874	0	42	0.0	-77.04	333.29	4.32	-72.72
C[NH+]1CCN(CCCS(=O)(=O)N2CCOC(C(=O)[O-])C2)CC1	REAL300010779875	0	47	0.0	-77.20	367.41	2.68	-74.52
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780782	0	46	0.0	-80.90	364.91	5.09	-75.81
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300010780828	0	40	0.0	-65.67	327.81	5.77	-59.90
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781949	0	49	0.0	-66.21	385.30	4.71	-61.50
CC(C)[C@H](NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300010781998	0	43	0.0	-58.28	347.78	5.45	-52.83
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783266	0	52	0.0	-66.41	411.42	5.56	-60.85
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300010783310	0	46	0.0	-59.84	373.01	6.29	-53.55
CC(C)C[C@H](NS(=O)(=O)CCC[NH+]1CCCC1)C(=O)[O-]	REAL300010783614	0	46	0.0	-50.69	361.70	5.30	-45.39
CC(C)C[C@H](NS(=O)(=O)CCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300010783615	0	51	0.0	-59.14	392.27	3.52	-55.62
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784522	0	46	0.0	-80.87	371.32	5.27	-75.60
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300010784568	0	40	0.0	-72.72	331.25	5.89	-66.83
CN(CCC(=O)[O-])S(=O)(=O)CCCN1CC[NH+](C)CC1	REAL300010784818	0	45	0.0	-74.36	356.30	3.30	-71.06
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785730	0	52	0.0	-85.95	405.06	5.21	-80.74
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300010785774	0	46	0.0	-85.93	368.90	6.04	-79.89
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300010787057	0	41	0.0	-63.02	327.17	5.94	-57.08
C[NH+]1CCN(CCCS(=O)(=O)N2CCC[C@H]2C(=O)[O-])CC1	REAL300010787323	0	46	0.0	-84.95	358.01	4.17	-80.78
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789477	0	49	0.0	-85.89	387.10	4.66	-81.23
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300010789526	0	43	0.0	-83.87	345.23	5.38	-78.49
CC(C)[C@@H](NS(=O)(=O)CCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300010789817	0	48	0.0	-80.19	372.59	2.75	-77.44
CC[C@@H](NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300010790693	0	40	0.0	-84.45	333.86	4.90	-79.55
CC[C@@H](NS(=O)(=O)CCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300010790929	0	45	0.0	-80.72	357.17	2.19	-78.53
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791623	0	43	0.0	-76.96	347.60	3.23	-73.73
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792490	0	43	0.0	-69.34	347.32	3.28	-66.06
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C)N(CC[NH+](C)C)N=C1C)C(=O)[O-]	REAL300010793574	0	52	0.0	-66.51	403.78	5.34	-61.17
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300010793618	0	46	0.0	-60.65	365.77	6.05	-54.60
CC[C@H](C)[C@H](NS(=O)(=O)CCC[NH+]1CCCC1)C(=O)[O-]	REAL300010793922	0	46	0.0	-50.65	353.63	5.07	-45.58
CC[C@H](C)[C@H](NS(=O)(=O)CCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300010793923	0	51	0.0	-60.55	387.79	3.33	-57.22
CCCCC(NS(=O)(=O)C1=C(C)N(CC[NH+](C)C)N=C1C)C(=O)[O-]	REAL300010794944	0	52	0.0	-85.68	412.78	5.67	-80.01
CCCCC(NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300010794988	0	46	0.0	-84.52	376.62	6.46	-78.06
CCCC(NS(=O)(=O)C1=C(C)N(CC[NH+](C)C)N=C1C)C(=O)[O-]	REAL300010796273	0	49	0.0	-85.31	391.29	4.90	-80.41
CCCC(NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300010796322	0	43	0.0	-84.32	355.18	5.69	-78.63
CCCC(NS(=O)(=O)CCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300010796613	0	48	0.0	-80.46	378.42	2.99	-77.47
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797589	0	50	0.0	-73.33	376.62	7.01	-66.32
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010797635	0	44	0.0	-76.64	338.01	7.62	-69.02
O=C([O-])C1CCCCN1S(=O)(=O)CCC[NH+]1CCCC1	REAL300010797938	0	44	0.0	-62.17	331.39	6.61	-55.56
C[NH+]1CCN(CCCS(=O)(=O)N2CCCCC2C(=O)[O-])CC1	REAL300010797939	0	49	0.0	-71.31	364.69	4.93	-66.38
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800249	0	49	0.0	-84.51	381.15	4.59	-79.92
CC(C)C(NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300010800298	0	43	0.0	-83.91	345.23	5.38	-78.53
CC(C)C(NS(=O)(=O)CCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300010800589	0	48	0.0	-58.51	365.18	2.63	-55.88
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802183	0	52	0.0	-81.57	416.37	5.73	-75.84
C[NH+](C)CC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1	REAL300010802227	0	46	0.0	-80.53	378.28	6.45	-74.08
O=C([O-])CCCCCNS(=O)(=O)CCC[NH+]1CCCC1	REAL300010802531	0	46	0.0	-79.44	369.18	5.51	-73.93
C[NH+]1CCN(CCCS(=O)(=O)NCCCCCC(=O)[O-])CC1	REAL300010802532	0	51	0.0	-78.24	401.71	3.77	-74.47
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803336	0	43	0.0	-83.99	350.27	4.78	-79.21
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010804464	0	42	0.0	-71.18	328.41	4.94	-66.24
O=C([O-])C1COCCN1S(=O)(=O)CCC[NH+]1CCCC1	REAL300010804768	0	42	0.0	-60.96	323.56	4.19	-56.77
C[NH+]1CCN(CCCS(=O)(=O)N2CCOCC2C(=O)[O-])CC1	REAL300010804769	0	47	0.0	-69.67	354.92	2.31	-67.36
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805739	0	47	0.0	-58.09	361.75	5.14	-52.95
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300010805788	0	41	0.0	-89.79	333.70	6.90	-82.89
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300010807077	0	44	0.0	-72.16	354.63	6.43	-65.73
CC1(C(=O)[O-])CCN(S(=O)(=O)CCC[NH+]2CCCC2)C1	REAL300010807380	0	44	0.0	-80.93	346.10	5.54	-75.39
C[NH+]1CCN(CCCS(=O)(=O)N2CCC(C)(C(=O)[O-])C2)CC1	REAL300010807381	0	49	0.0	-75.32	379.72	3.67	-71.65
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809572	0	50	0.0	-82.42	382.90	6.24	-76.18
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300010809617	0	44	0.0	-90.12	347.50	7.80	-82.32
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CCC[NH+]1CCCC1	REAL300010809907	0	44	0.0	-57.72	334.90	5.79	-51.93
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CCCN1CC[NH+](C)CC1	REAL300010809908	0	49	0.0	-62.06	369.23	4.13	-57.93
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810763	0	49	0.0	-70.64	376.46	5.78	-64.86
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300010810809	0	43	0.0	-62.93	341.47	6.57	-56.36
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813392	0	49	0.0	-79.26	382.11	6.15	-73.11
CC(CN(C)S(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300010813441	0	43	0.0	-74.05	345.65	6.36	-67.69
CC(CN(C)S(=O)(=O)CCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300010813732	0	48	0.0	-72.70	368.07	4.24	-68.46
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816047	0	49	0.0	-80.01	394.87	4.96	-75.05
C[NH+](C)CC1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C1	REAL300010816096	0	43	0.0	-76.67	356.78	5.67	-71.00
C[NH+]1CCN(CCCS(=O)(=O)NCCCCC(=O)[O-])CC1	REAL300010816387	0	48	0.0	-75.17	380.21	2.98	-72.19
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817147	0	43	0.0	-76.32	351.87	3.38	-72.94
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)N(CC[NH+](C)C)N=C1C	REAL300010819326	0	49	0.0	-70.83	388.15	6.24	-64.59
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300010819375	0	43	0.0	-85.54	353.43	7.06	-78.48
CCCN(CC(=O)[O-])S(=O)(=O)CCCN1CC[NH+](C)CC1	REAL300010819666	0	48	0.0	-81.59	376.63	4.38	-77.21
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820642	0	50	0.0	-73.33	376.62	7.01	-66.32
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010820688	0	44	0.0	-76.64	338.01	7.62	-69.02
O=C([O-])C1CCCCN1S(=O)(=O)CCC[NH+]1CCCC1	REAL300010820991	0	44	0.0	-62.17	331.39	6.61	-55.56
C[NH+]1CCN(CCCS(=O)(=O)N2CCCCC2C(=O)[O-])CC1	REAL300010820992	0	49	0.0	-71.31	364.69	4.93	-66.38
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821977	0	47	0.0	-75.90	380.30	1.65	-74.25
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823265	0	49	0.0	-77.99	386.85	4.72	-73.27
C[NH+](C)CC1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300010823314	0	43	0.0	-73.23	349.40	5.42	-67.81
C[NH+]1CCN(CCCS(=O)(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300010823605	0	48	0.0	-71.30	372.20	2.75	-68.55
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833150	0	46	0.0	-78.40	373.37	4.18	-74.22
C[NH+](C)CC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1	REAL300010833196	0	40	0.0	-77.74	335.34	4.89	-72.85
C[NH+]1CCN(CCCS(=O)(=O)NCCCC(=O)[O-])CC1	REAL300010833446	0	45	0.0	-75.79	358.72	2.20	-73.59
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839568	0	52	0.0	-80.47	406.66	5.08	-75.39
C[NH+](C)CC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300010839612	0	46	0.0	-80.72	368.04	5.78	-74.94
CC(C)(CCNS(=O)(=O)CCC[NH+]1CCCC1)C(=O)[O-]	REAL300010839916	0	46	0.0	-80.20	359.46	4.84	-75.36
C[NH+]1CCN(CCCS(=O)(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300010839917	0	51	0.0	-78.58	392.00	3.10	-75.48
CC[C@@H](NS(=O)(=O)C1=C(C)N(CC[NH+](C)C)N=C1C)C(=O)[O-]	REAL300010842177	0	46	0.0	-84.81	369.55	4.14	-80.67
CC[C@@H](NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300010842220	0	40	0.0	-84.45	333.86	4.90	-79.55
CC[C@@H](NS(=O)(=O)CCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300010842456	0	45	0.0	-80.72	357.17	2.19	-78.53
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300010844644	0	44	0.0	-65.51	344.92	6.50	-59.01
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CCC[NH+]1CCCC1	REAL300010844947	0	44	0.0	-54.88	339.43	5.76	-49.12
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CCCN1CC[NH+](C)CC1	REAL300010844948	0	49	0.0	-85.24	375.38	4.93	-80.31
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847798	0	50	0.0	-71.07	398.29	7.05	-64.02
C[NH+](C)CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1	REAL300010847844	0	44	0.0	-63.34	364.50	7.90	-55.44
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849052	0	46	0.0	-76.34	371.08	4.08	-72.26
CC(CNS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300010849098	0	40	0.0	-71.76	333.00	4.79	-66.97
CC(CNS(=O)(=O)CCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300010849348	0	45	0.0	-71.63	355.25	2.10	-69.53
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850260	0	52	0.0	-84.19	409.47	5.27	-78.92
CC(C)C(CNS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300010850304	0	46	0.0	-72.21	364.01	5.94	-66.27
CC(C)C(CNS(=O)(=O)CCC[NH+]1CCCC1)C(=O)[O-]	REAL300010850608	0	46	0.0	-84.03	362.26	5.03	-79.00
CC(C)C(CNS(=O)(=O)CCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300010850609	0	51	0.0	-68.14	387.72	3.27	-64.87
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N(CC(=O)[O-])C1CCC1	REAL300010853871	0	50	0.0	-59.65	382.87	6.35	-53.30
C[NH+](C)CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)C=C1	REAL300010853917	0	44	0.0	-86.07	344.41	6.97	-79.10
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C)N(CC[NH+](C)C)N=C1C	REAL300010855198	0	49	0.0	-64.59	383.59	5.92	-58.67
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300010855247	0	43	0.0	-65.63	348.26	6.72	-58.91
CCC(C(=O)[O-])N(C)S(=O)(=O)CCCN1CC[NH+](C)CC1	REAL300010855538	0	48	0.0	-62.45	369.73	4.06	-58.39
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC1(CC(=O)[O-])CCC1	REAL300010856485	0	50	0.0	-69.44	383.40	5.09	-64.35
C[NH+](C)CC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C=C1	REAL300010856530	0	44	0.0	-62.15	346.18	5.93	-56.22
O=C([O-])CC1(NS(=O)(=O)CCC[NH+]2CCCC2)CCC1	REAL300010856820	0	44	0.0	-50.01	335.67	5.06	-44.95
C[NH+]1CCN(CCCS(=O)(=O)NC2(CC(=O)[O-])CCC2)CC1	REAL300010856821	0	49	0.0	-60.25	367.02	3.18	-57.07
CC[C@H](NS(=O)(=O)C1=C(C)N(CC[NH+](C)C)N=C1C)C(=O)[O-]	REAL300010858932	0	46	0.0	-66.41	372.64	4.27	-62.14
CC[C@H](NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300010858975	0	40	0.0	-59.20	332.41	4.94	-54.26
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860121	0	50	0.0	-81.62	391.15	5.07	-76.55
C[NH+](C)CC1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300010860167	0	44	0.0	-78.84	356.56	5.92	-72.92
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)CCC[NH+]2CCCC2)C1	REAL300010860470	0	44	0.0	-77.42	345.77	4.87	-72.55
C[NH+]1CCN(CCCS(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300010860471	0	49	0.0	-76.29	379.91	3.23	-73.06
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)N(CC[NH+](C)C)N=C1C	REAL300010870733	0	49	0.0	-63.62	380.18	5.73	-57.89
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300010870782	0	43	0.0	-84.40	341.21	6.39	-78.01
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884720	0	50	0.0	-72.90	378.76	5.84	-67.06
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300010884765	0	44	0.0	-92.63	348.50	7.34	-85.29
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887231	0	47	0.0	-80.44	377.09	4.58	-75.86
C[NH+](C)CC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300010887280	0	41	0.0	-80.37	341.03	5.34	-75.03
C[NH+]1CCN(CCCS(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300010887564	0	46	0.0	-74.94	365.02	2.69	-72.25
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890386	0	50	0.0	-75.04	388.26	6.18	-68.86
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300010890432	0	44	0.0	-79.61	352.25	6.93	-72.68
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CCC[NH+]2CCCC2)C1	REAL300010890735	0	44	0.0	-72.55	342.62	5.90	-66.65
C[NH+]1CCN(CCCS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300010890736	0	49	0.0	-71.99	375.90	4.22	-67.77
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891753	0	50	0.0	-75.47	378.20	7.01	-68.46
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300010891799	0	44	0.0	-77.11	338.77	7.56	-69.55
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893120	0	50	0.0	-89.12	381.32	7.09	-82.03
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1	REAL300010893166	0	44	0.0	-77.23	339.30	7.59	-69.64
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CCC[NH+]1CCCC1	REAL300010893469	0	44	0.0	-61.81	331.10	6.59	-55.22
C[NH+]1CCN(CCCS(=O)(=O)N2CCCC[C@H]2C(=O)[O-])CC1	REAL300010893470	0	49	0.0	-70.93	363.50	4.77	-66.16
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300010894533	0	44	0.0	-75.81	351.77	6.86	-68.95
O=C([O-])[C@H]1CCCN(S(=O)(=O)CCC[NH+]2CCCC2)C1	REAL300010894836	0	44	0.0	-75.12	342.67	5.98	-69.14
C[NH+]1CCN(CCCS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)CC1	REAL300010894837	0	49	0.0	-74.54	375.21	4.21	-70.33
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897078	0	47	0.0	-76.70	376.14	4.55	-72.15
C[NH+](C)CC1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1	REAL300010897127	0	41	0.0	-76.27	341.52	5.37	-70.90
C[NH+]1CCN(CCCS(=O)(=O)NC2CC(C(=O)[O-])C2)CC1	REAL300010897411	0	46	0.0	-74.78	365.01	2.68	-72.10
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898320	0	47	0.0	-75.45	374.71	4.57	-70.88
C[NH+](C)CC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300010898369	0	41	0.0	-74.15	340.92	5.39	-68.76
C[NH+]1CCN(CCCS(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1	REAL300010898653	0	46	0.0	-74.51	363.22	2.56	-71.95
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901268	0	46	0.0	-71.54	356.96	3.52	-68.02
C[NH+](C)CC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1	REAL300010901313	0	40	0.0	-72.27	317.02	4.38	-67.89
C[NH+]1CCN(CCCS(=O)(=O)NC(C)(C)C(=O)[O-])CC1	REAL300010901556	0	45	0.0	-67.38	340.55	1.79	-65.59
CCC(CNS(=O)(=O)C1=C(C)N(CC[NH+](C)C)N=C1C)C(=O)[O-]	REAL300010903572	0	49	0.0	-69.17	386.55	4.82	-64.35
CCC(CNS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300010903621	0	43	0.0	-82.93	349.72	5.48	-77.45
CCC(CNS(=O)(=O)CCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300010903912	0	48	0.0	-79.95	373.10	2.79	-77.16
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915092	0	49	0.0	-85.49	392.81	6.07	-79.42
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300010915141	0	43	0.0	-66.90	352.80	6.69	-60.21
CN(CCCC(=O)[O-])S(=O)(=O)CCCN1CC[NH+](C)CC1	REAL300010915432	0	48	0.0	-81.40	377.80	4.11	-77.29
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916408	0	50	0.0	-63.56	390.19	5.36	-58.20
C[NH+](C)CC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010916454	0	44	0.0	-86.19	353.48	6.41	-79.78
O=C([O-])C1CCCC1NS(=O)(=O)CCC[NH+]1CCCC1	REAL300010916757	0	44	0.0	-52.35	346.76	4.93	-47.42
C[NH+]1CCN(CCCS(=O)(=O)NC2CCCC2C(=O)[O-])CC1	REAL300010916758	0	49	0.0	-60.73	378.14	3.04	-57.69
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921693	0	50	0.0	-74.51	386.76	5.43	-69.08
C[NH+](C)CC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300010921739	0	44	0.0	-66.55	353.76	6.29	-60.26
C[NH+](C)CC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1	REAL300010936317	0	43	0.0	-70.47	330.47	4.83	-65.64
C[NH+]1CCN(CCCS(=O)(=O)NC(C)(C)CC(=O)[O-])CC1	REAL300010936608	0	48	0.0	-67.92	353.90	2.25	-65.67
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938734	0	48	0.0	-69.91	378.96	4.68	-65.23
C[NH+](C)CC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300010938781	0	42	0.0	-74.06	344.73	5.48	-68.58
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946386	0	44	0.0	-85.61	355.99	3.84	-81.77
C[NH+]1CCN(CCCS(=O)(=O)NC2(C(=O)[O-])CC2)CC1	REAL300010946671	0	43	0.0	-77.66	341.09	1.80	-75.86
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947452	0	46	0.0	-83.19	367.31	4.06	-79.13
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300010947498	0	40	0.0	-84.94	329.25	4.81	-80.13
C[C@H](CC(=O)[O-])NS(=O)(=O)CCCN1CC[NH+](C)CC1	REAL300010947748	0	45	0.0	-81.03	351.25	2.25	-78.78
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952680	0	50	0.0	-91.45	378.99	6.36	-85.09
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300010952725	0	44	0.0	-92.59	348.49	7.33	-85.26
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953920	0	50	0.0	-84.54	379.90	6.39	-78.15
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300010953965	0	44	0.0	-91.14	345.98	7.30	-83.84
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955139	0	47	0.0	-57.31	365.17	4.24	-53.07
C[NH+](C)CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1	REAL300010955188	0	41	0.0	-86.69	325.77	5.55	-81.14
C[NH+]1CCN(CCCS(=O)(=O)NC2(C(=O)[O-])CCC2)CC1	REAL300010955472	0	46	0.0	-80.41	349.87	3.03	-77.38
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958669	0	47	0.0	-61.21	375.70	5.89	-55.32
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300010958717	0	41	0.0	-89.86	335.88	6.14	-83.72
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CCCN1CC[NH+](C)CC1	REAL300010958993	0	46	0.0	-63.42	362.30	3.83	-59.59
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965395	0	48	0.0	-83.13	390.08	5.35	-77.78
C[NH+](C)CC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010965442	0	42	0.0	-79.32	352.88	6.08	-73.24
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CCC[NH+]1CCCC1)C2	REAL300010965742	0	42	0.0	-78.09	343.61	5.14	-72.95
C[NH+]1CCN(CCCS(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300010965743	0	47	0.0	-77.31	376.11	3.39	-73.92
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966701	0	47	0.0	-72.46	378.54	4.93	-67.53
C[NH+](C)CC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300010966750	0	41	0.0	-76.24	340.50	5.65	-70.59
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973333	0	47	0.0	-85.29	390.39	4.65	-80.64
C[NH+](C)CC1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300010973380	0	41	0.0	-85.92	354.72	5.40	-80.52
N#CCCC(NS(=O)(=O)CCC[NH+]1CCCC1)C(=O)[O-]	REAL300010973680	0	41	0.0	-53.28	344.98	4.50	-48.78
C[NH+]1CCN(CCCS(=O)(=O)NC(CCC#N)C(=O)[O-])CC1	REAL300010973681	0	46	0.0	-84.96	377.77	2.73	-82.23
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975965	0	47	0.0	-69.57	374.98	5.31	-64.26
CCCC[C@@H](NS(=O)(=O)C1=C(C)N(CC[NH+](C)C)N=C1C)C(=O)[O-]	REAL300010977260	0	52	0.0	-85.36	412.42	5.67	-79.69
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300010977304	0	46	0.0	-84.52	376.60	6.47	-78.05
CCCC[C@@H](NS(=O)(=O)CCC[NH+]1CCCC1)C(=O)[O-]	REAL300010977608	0	46	0.0	-79.78	367.62	5.50	-74.28
CCCC[C@@H](NS(=O)(=O)CCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300010977609	0	51	0.0	-80.35	399.92	3.77	-76.58
CCCC[C@H](NS(=O)(=O)C1=C(C)N(CC[NH+](C)C)N=C1C)C(=O)[O-]	REAL300010978630	0	52	0.0	-65.53	415.37	5.84	-59.69
CCCC[C@H](NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300010978674	0	46	0.0	-60.46	377.72	6.53	-53.93
CCCC[C@H](NS(=O)(=O)CCC[NH+]1CCCC1)C(=O)[O-]	REAL300010978978	0	46	0.0	-50.27	363.80	5.50	-44.77
CCCC[C@H](NS(=O)(=O)CCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300010978979	0	51	0.0	-60.22	399.67	3.80	-56.42
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979983	0	48	0.0	-78.11	385.91	5.23	-72.88
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981299	0	49	0.0	-68.96	389.55	4.82	-64.14
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300010981348	0	43	0.0	-69.08	353.63	5.60	-63.48
CC(CCC(=O)[O-])NS(=O)(=O)CCCN1CC[NH+](C)CC1	REAL300010981639	0	48	0.0	-79.08	374.30	2.83	-76.25
CCC[C@@H](NS(=O)(=O)C1=C(C)N(CC[NH+](C)C)N=C1C)C(=O)[O-]	REAL300010982575	0	49	0.0	-85.13	391.02	4.90	-80.23
CCC[C@@H](NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300010982624	0	43	0.0	-84.61	355.35	5.68	-78.93
CCC[C@@H](NS(=O)(=O)CCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300010982915	0	48	0.0	-80.44	378.42	2.99	-77.45
CCOC1=CC(N2CCN(C3=CC=[NH+]C=C3C(=O)[O-])CC2)=CC=C1[N+](=O)[O-]	REAL300011087099	0	47	0.0	-56.01	376.16	8.74	-47.27
CCOC1=CC(N2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)=CC=C1[N+](=O)[O-]	REAL300011087104	0	47	0.0	-56.17	376.02	9.55	-46.62
CCOC1=CC(N2CCN(C3=CC=C(C(=O)[O-])C=[NH+]3)CC2)=CC=C1[N+](=O)[O-]	REAL300011087105	1	47	0.0	-51.82	374.34	8.53	-43.29
CCOC1=CC(N2CCN(C3=CC(C(=O)[O-])=CC=[NH+]3)CC2)=CC=C1[N+](=O)[O-]	REAL300011087106	0	47	0.0	-57.06	374.82	8.58	-48.48
CCOC1=CC(N2CCN(C3=CC=C(C(=O)[O-])C(C)=[NH+]3)CC2)=CC=C1[N+](=O)[O-]	REAL300011087107	0	50	0.0	-49.42	389.99	8.83	-40.59
CCOC1=CC(N2CCN(C3=CC=[NH+]C=C3C(=O)[O-])CC2)=CC=C1[N+](=O)[O-]	REAL300011087111	0	47	0.0	-56.01	376.16	8.74	-47.27
CCOC1=CC(N2CCN(C3=CC=[NH+]C(C(=O)[O-])=C3)CC2)=CC=C1[N+](=O)[O-]	REAL300011087112	0	47	0.0	-45.95	374.37	7.50	-38.45
CCOC1=CC(N2CCN(C3=[NH+]C(C)=CC=C3C(=O)[O-])CC2)=CC=C1[N+](=O)[O-]	REAL300011087113	0	50	0.0	-51.13	397.43	10.12	-41.01
O=C([O-])C1=CC=C(N(CC2=CC=CC(C3=CC=CN=C3)=C2)C2CC2)[NH+]=C1	REAL300011087122	1	45	0.0	-44.19	355.20	11.88	-32.31
O=C([O-])C1=CC=[NH+]C(N(CC2=CC=CC(C3=CC=CN=C3)=C2)C2CC2)=C1	REAL300011087124	0	45	0.0	-52.51	351.60	11.69	-40.82
CC1=[NH+]C(N(CC2=CC=CC(C3=CC=CN=C3)=C2)C2CC2)=CC=C1C(=O)[O-]	REAL300011087125	0	48	0.0	-42.93	376.25	12.71	-30.22
O=C([O-])C1=CC(N(CC2=CC=CC(C3=CC=CN=C3)=C2)C2CC2)=CC=[NH+]1	REAL300011087129	0	45	0.0	-44.14	373.18	11.34	-32.80
CC1=CC=C(C(=O)[O-])C(N(CC2=CC=CC(C3=CC=CN=C3)=C2)C2CC2)=[NH+]1	REAL300011087130	0	48	0.0	-54.07	390.13	12.21	-41.86
CC1CC2=CC(C3=CC=C(CNC4=CC=[NH+]C=C4C(=O)[O-])C=C3)=CC=C2O1	REAL300011087134	0	47	0.0	-46.54	378.03	10.63	-35.91
CC1CC2=CC(C3=CC=C(CNC4=CC(C(=O)[O-])=CC=[NH+]4)C=C3)=CC=C2O1	REAL300011087141	1	47	0.0	-49.28	383.02	11.25	-38.03
CC1=[NH+]C(NCC2=CC=C(C3=CC=C4OC(C)CC4=C3)C=C2)=CC=C1C(=O)[O-]	REAL300011087142	1	50	0.0	-44.16	398.52	11.72	-32.44
CC1CC2=CC(C3=CC=C(CNC4=CC=[NH+]C=C4C(=O)[O-])C=C3)=CC=C2O1	REAL300011087146	0	47	0.0	-46.54	378.03	10.63	-35.91
CC1CC2=CC(C3=CC=C(CNC4=CC=[NH+]C(C(=O)[O-])=C4)C=C3)=CC=C2O1	REAL300011087147	0	47	0.0	-39.55	383.02	10.35	-29.20
CC1=CC=C(C(=O)[O-])C(NCC2=CC=C(C3=CC=C4OC(C)CC4=C3)C=C2)=[NH+]1	REAL300011087148	1	50	0.0	-43.08	399.11	12.24	-30.84
C=CCCOCCNC1=C2C(C)=C(C(=O)[O-])SC2=NC(C[NH+](C)C)=N1	REAL300011087150	1	49	0.0	-67.03	401.37	8.69	-58.34
C=CCCOCCNC1=C(C(=O)[O-])C=[NH+]C2=C(C)C=C(C)C=C12	REAL300011087154	0	45	0.0	-35.66	361.89	8.70	-26.96
C=CCCOCCNC1=C(C(=O)[O-])C=[NH+]C2=CC=C(C)C=C21	REAL300011087155	0	42	0.0	-37.61	343.35	7.93	-29.68
C=CCCOCCNC1=C(C(=O)[O-])C=[NH+]C2=C(C)C(C)=CC=C12	REAL300011087156	0	45	0.0	-35.61	357.40	8.61	-27.00
C=CCCOCCNC1=C(C(=O)[O-])C=[NH+]C2=CC=C(OC)C=C21	REAL300011087157	0	43	0.0	-40.08	352.37	6.61	-33.47
C=CCCOCCNC1=C(C(=O)[O-])C=[NH+]C2=C(C)C=CC=C12	REAL300011087158	0	42	0.0	-36.53	340.83	8.08	-28.45
C=CCCOCCNC1=C(C(=O)[O-])C=[NH+]C2=CC3=C(C=C21)OCO3	REAL300011087159	0	42	0.0	-42.39	349.87	5.93	-36.46
CCC(CNC1=C(C(=O)[O-])C=[NH+]C2=C(C)C=C(C)C=C12)OC1=CC=CC=C1Cl	REAL300011087168	0	51	0.0	-45.69	411.13	11.57	-34.12
CCC(CNC1=C(C(=O)[O-])C=[NH+]C2=CC=C(C)C=C21)OC1=CC=CC=C1Cl	REAL300011087169	0	48	0.0	-47.06	394.86	10.91	-36.15
CCC(CNC1=C(C(=O)[O-])C=[NH+]C2=C(C)C(C)=CC=C12)OC1=CC=CC=C1Cl	REAL300011087170	0	51	0.0	-44.55	407.13	11.52	-33.03
CCC(CNC1=C(C(=O)[O-])C=[NH+]C2=C(C)C=CC=C12)OC1=CC=CC=C1Cl	REAL300011087171	0	48	0.0	-46.58	390.39	10.93	-35.65
CCC(CNC1=CC=[NH+]C=C1C(=O)[O-])OC1=CC=CC=C1Cl	REAL300011087175	0	39	0.0	-47.64	325.57	7.97	-39.67
CCC(CNC1=CC(C(=O)[O-])=CC=[NH+]1)OC1=CC=CC=C1Cl	REAL300011087190	1	39	0.0	-46.84	330.25	8.61	-38.23
CCC(CNC1=CC=C(C(=O)[O-])C(C)=[NH+]1)OC1=CC=CC=C1Cl	REAL300011087192	1	42	0.0	-41.83	345.33	9.05	-32.78
CCC(CNC1=CC=[NH+]C=C1C(=O)[O-])OC1=CC=CC=C1Cl	REAL300011087199	0	39	0.0	-47.64	325.57	7.97	-39.67
CCC(CNC1=CC=[NH+]C(C(=O)[O-])=C1)OC1=CC=CC=C1Cl	REAL300011087200	0	39	0.0	-38.91	330.55	7.66	-31.25
CCC(CNC1=[NH+]C(C)=CC=C1C(=O)[O-])OC1=CC=CC=C1Cl	REAL300011087201	1	42	0.0	-43.16	346.44	9.59	-33.57
CC1=C(C(=O)[O-])SC2=NC(C[NH+](C)C)=NC(NCCOCC3CCCC3)=C12	REAL300011087205	1	55	0.0	-65.99	432.43	10.07	-55.92
CC1=CC2=C(NCCOCC3CCCC3)C(C(=O)[O-])=C[NH+]=C2C(C)=C1	REAL300011087209	0	51	0.0	-35.43	392.96	10.07	-25.36
CC1=CC2=C(NCCOCC3CCCC3)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011087210	0	48	0.0	-37.37	374.41	9.30	-28.07
CC1=C(C)C2=[NH+]C=C(C(=O)[O-])C(NCCOCC3CCCC3)=C2C=C1	REAL300011087211	0	51	0.0	-41.95	389.33	9.93	-32.02
COC1=CC2=C(NCCOCC3CCCC3)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011087212	0	49	0.0	-39.33	382.52	7.94	-31.39
CC1=CC=CC2=C(NCCOCC3CCCC3)C(C(=O)[O-])=C[NH+]=C12	REAL300011087213	0	48	0.0	-42.64	372.89	9.42	-33.22
O=C([O-])C1=C(NCCOCC2CCCC2)C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300011087214	0	48	0.0	-42.09	380.08	7.23	-34.86
CC1=C(C(=O)[O-])SC2=NC(C[NH+](C)C)=NC(N(C)CCOCC3CC3)=C12	REAL300011087230	1	52	0.0	-70.56	417.88	10.23	-60.33
CC1=CC2=C(N(C)CCOCC3CC3)C(C(=O)[O-])=C[NH+]=C2C(C)=C1	REAL300011087234	0	48	0.0	-39.52	368.87	10.29	-29.23
CC1=CC2=C(N(C)CCOCC3CC3)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011087235	0	45	0.0	-41.71	351.22	9.52	-32.19
CC1=C(C)C2=[NH+]C=C(C(=O)[O-])C(N(C)CCOCC3CC3)=C2C=C1	REAL300011087236	0	48	0.0	-39.77	364.71	10.11	-29.66
COC1=CC2=C(N(C)CCOCC3CC3)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011087237	0	46	0.0	-43.53	360.60	7.83	-35.70
CC1=CC=CC2=C(N(C)CCOCC3CC3)C(C(=O)[O-])=C[NH+]=C12	REAL300011087238	0	45	0.0	-41.03	349.03	9.29	-31.74
CN(CCOCC1CC1)C1=C(C(=O)[O-])C=[NH+]C2=CC3=C(C=C21)OCO3	REAL300011087239	0	45	0.0	-42.00	356.56	7.09	-34.91
C[NH+](C)CCCOC1CCN(C2=C(C(=O)[O-])N=NC3=CC=CC=C32)CC1	REAL300011087249	0	52	0.0	-87.84	393.43	8.55	-79.29
C[NH+](C)CCCOC1CCN(C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300011087250	0	50	0.0	-87.25	390.49	9.49	-77.76
CC1=C(C(=O)[O-])SC2=NC(C)=NC(N3CCC(OCCC[NH+](C)C)CC3)=C12	REAL300011087251	0	55	0.0	-71.66	430.98	10.69	-60.97
CC1=C(C(=O)[O-])SC2=NC=NC(N3CCC(OCCC[NH+](C)C)CC3)=C12	REAL300011087252	0	52	0.0	-71.10	409.73	10.56	-60.54
C[NH+](C)CCCOC1CCN(C2=CC=C(S(N)(=O)=O)C=C2C(=O)[O-])CC1	REAL300011087253	0	53	0.0	-81.62	419.91	4.63	-76.99
COC1=CC=CC2=C(N3CCC(OCCC[NH+](C)C)CC3)C(C(=O)[O-])=CN=C12	REAL300011087254	0	57	0.0	-82.22	426.59	9.01	-73.21
C[NH+](C)CCCOC1CCN(C2=CC=C(C(=O)[O-])N=N2)CC1	REAL300011087260	0	46	0.0	-75.95	357.63	6.58	-69.37
C[NH+](C)CCCOC1CCN(C2=NC=C(C(=O)[O-])C=N2)CC1	REAL300011087261	0	46	0.0	-67.52	358.23	8.06	-59.46
C[NH+](C)CCCOC1CCN(C2=NC=CC(C(=O)[O-])=C2[N+](=O)[O-])CC1	REAL300011087263	0	49	0.0	-76.03	393.18	8.96	-67.07
C[NH+](C)CCCOC1CCN(C2=NC=NC=C2C(=O)[O-])CC1	REAL300011087264	0	46	0.0	-68.27	358.46	8.36	-59.91
C[NH+](C)CCCOC1CCN(C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])CC1	REAL300011087265	0	53	0.0	-72.62	416.23	11.14	-61.48
CC1=C(C(=O)[O-])C(N2CCC(OCCC[NH+](C)C)CC2)=NC2=CC=CC=C21	REAL300011087266	0	56	0.0	-78.26	429.00	10.63	-67.63
CC1=CC(N2CCC(OCCC[NH+](C)C)CC2)=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300011087267	0	53	0.0	-77.33	409.83	10.88	-66.45
C[NH+](C)CCCOC1CCN(C2=NC(C(=O)[O-])=CC=C2[N+](=O)[O-])CC1	REAL300011087268	0	49	0.0	-63.82	392.45	9.35	-54.47
CC1=CC(C(=O)[O-])=C([N+](=O)[O-])C(N2CCC(OCCC[NH+](C)C)CC2)=N1	REAL300011087269	0	52	0.0	-75.85	414.27	9.73	-66.12
C[NH+](C)CCCOC1CCN(C2=NC=C(C(=O)[O-])C=N2)CC1	REAL300011087270	0	46	0.0	-67.52	358.23	8.06	-59.46
C[NH+](C)CCCOC1CCN(C2=NC=C(C(=O)[O-])C=C2[N+](=O)[O-])CC1	REAL300011087271	0	49	0.0	-65.58	391.45	9.33	-56.25
C[NH+](C)CCCOC1CCN(C2=NC=C(C(=O)[O-])S2)CC1	REAL300011087272	0	44	0.0	-72.78	353.91	6.90	-65.88
C[NH+](C)CCCOC1CCN(C2=CC(C(=O)[O-])=NC=N2)CC1	REAL300011087273	0	46	0.0	-72.72	357.80	7.62	-65.10
C[NH+](C)CCCOC1CCN(C2=NC=CC=C2C(=O)[O-])CC1	REAL300011087274	1	47	0.0	-73.03	363.33	8.65	-64.38
C[NH+](C)CCCOC1CCN(C2=CC=C(C(=O)[O-])C=N2)CC1	REAL300011087275	0	47	0.0	-72.31	361.60	7.81	-64.50
C[NH+](C)CCCOC1CCN(C2=NC=NC3=CC(C(=O)[O-])=CC=C32)CC1	REAL300011087276	0	52	0.0	-74.27	405.79	9.83	-64.44
C[NH+](C)CCCOC1CCN(C2=C(C(=O)[O-])C=CC=C2[N+](=O)[O-])CC1	REAL300011087278	0	50	0.0	-58.93	381.90	9.74	-49.19
C[NH+](C)CCCOC1CCN(C2=CN=C(C(=O)[O-])C=N2)CC1	REAL300011087280	0	46	0.0	-74.28	357.28	5.94	-68.34
C[NH+](C)CCCOC1CCN(C2=NC=C(C(=O)[O-])C=C2[N+](=O)[O-])CC1	REAL300011087281	0	49	0.0	-65.58	391.45	9.33	-56.25
CC1=NC(N2CCC(OCCC[NH+](C)C)CC2)=NC=C1C(=O)[O-]	REAL300011087282	0	49	0.0	-67.19	374.68	8.55	-58.64
C[NH+](C)CCCOC1CCN(C2=NC(C(F)(F)F)=CC=C2C(=O)[O-])CC1	REAL300011087283	0	50	0.0	-65.10	403.00	9.67	-55.43
C[NH+](C)CCCOC1CCN(C2=CC=C(C(=O)[O-])N=N2)CC1	REAL300011087284	0	46	0.0	-75.95	357.63	6.58	-69.37
C[NH+](C)CCCOC1CCN(C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])CC1	REAL300011087285	0	53	0.0	-72.62	416.23	11.14	-61.48
C[NH+](C)CCCOC1CCN(C2=CC=NC(C(=O)[O-])=C2)CC1	REAL300011087287	1	47	0.0	-78.96	360.00	6.64	-72.32
CCC(CNC1=C(C(=O)[O-])C=[NH+]C2=C(C)C=C(C)C=C12)OC1=CC=CC=C1F	REAL300011087295	0	51	0.0	-49.82	401.35	11.08	-38.74
CCC(CNC1=C(C(=O)[O-])C=[NH+]C2=CC=C(C)C=C21)OC1=CC=CC=C1F	REAL300011087296	0	48	0.0	-51.93	385.04	10.41	-41.52
CCC(CNC1=C(C(=O)[O-])C=[NH+]C2=C(C)C(C)=CC=C12)OC1=CC=CC=C1F	REAL300011087297	0	51	0.0	-49.78	397.31	11.02	-38.76
CCC(CNC1=C(C(=O)[O-])C=[NH+]C2=CC=C(OC)C=C21)OC1=CC=CC=C1F	REAL300011087298	0	49	0.0	-52.53	391.50	8.96	-43.57
CCC(CNC1=C(C(=O)[O-])C=[NH+]C2=C(C)C=CC=C12)OC1=CC=CC=C1F	REAL300011087299	0	48	0.0	-50.96	380.61	10.45	-40.51
CCC(CNC1=C(C(=O)[O-])C=[NH+]C2=CC3=C(C=C21)OCO3)OC1=CC=CC=C1F	REAL300011087300	0	48	0.0	-37.29	387.41	8.36	-28.93
CCC(CNC1=CC=[NH+]C=C1C(=O)[O-])OC1=CC=CC=C1F	REAL300011087303	0	39	0.0	-49.62	315.77	7.49	-42.13
CCC(CNC1=CC(C(=O)[O-])=CC=[NH+]1)OC1=CC=CC=C1F	REAL300011087318	1	39	0.0	-48.04	320.45	8.13	-39.91
CCC(CNC1=CC=C(C(=O)[O-])C(C)=[NH+]1)OC1=CC=CC=C1F	REAL300011087320	1	42	0.0	-42.84	335.53	8.56	-34.28
CCC(CNC1=CC=[NH+]C=C1C(=O)[O-])OC1=CC=CC=C1F	REAL300011087327	0	39	0.0	-49.62	315.77	7.49	-42.13
CCC(CNC1=CC=[NH+]C(C(=O)[O-])=C1)OC1=CC=CC=C1F	REAL300011087328	0	39	0.0	-40.11	320.75	7.17	-32.94
CCC(CNC1=[NH+]C(C)=CC=C1C(=O)[O-])OC1=CC=CC=C1F	REAL300011087329	1	42	0.0	-44.71	336.65	9.11	-35.60
CCC(CNC1=C(C(=O)[O-])C=[NH+]C2=C(C)C=C(C)C=C12)OC1=CC=CC(F)=C1	REAL300011087336	0	51	0.0	-46.32	401.60	11.09	-35.23
CCC(CNC1=C(C(=O)[O-])C=[NH+]C2=CC=C(C)C=C21)OC1=CC=CC(F)=C1	REAL300011087337	0	48	0.0	-40.87	383.59	10.39	-30.48
CCC(CNC1=C(C(=O)[O-])C=[NH+]C2=C(C)C(C)=CC=C12)OC1=CC=CC(F)=C1	REAL300011087338	0	51	0.0	-40.80	397.20	10.98	-29.82
CCC(CNC1=C(C(=O)[O-])C=[NH+]C2=CC=C(OC)C=C21)OC1=CC=CC(F)=C1	REAL300011087339	0	49	0.0	-48.97	391.61	8.95	-40.02
CCC(CNC1=C(C(=O)[O-])C=[NH+]C2=C(C)C=CC=C12)OC1=CC=CC(F)=C1	REAL300011087340	0	48	0.0	-39.41	380.12	10.49	-28.92
CCC(CNC1=C(C(=O)[O-])C=[NH+]C2=CC3=C(C=C21)OCO3)OC1=CC=CC(F)=C1	REAL300011087341	0	48	0.0	-36.66	388.13	8.43	-28.23
CCC(CNC1=CC=[NH+]C=C1C(=O)[O-])OC1=CC=CC(F)=C1	REAL300011087344	0	39	0.0	-48.36	315.91	7.49	-40.87
CCC(CNC1=CC(C(=O)[O-])=CC=[NH+]1)OC1=CC=CC(F)=C1	REAL300011087359	1	39	0.0	-46.29	320.94	8.06	-38.23
CCC(CNC1=CC=C(C(=O)[O-])C(C)=[NH+]1)OC1=CC=CC(F)=C1	REAL300011087361	1	42	0.0	-42.70	336.51	8.59	-34.11
CCC(CNC1=CC=[NH+]C=C1C(=O)[O-])OC1=CC=CC(F)=C1	REAL300011087368	0	39	0.0	-48.36	315.91	7.49	-40.87
CCC(CNC1=CC=[NH+]C(C(=O)[O-])=C1)OC1=CC=CC(F)=C1	REAL300011087369	0	39	0.0	-38.42	320.94	7.17	-31.25
CCC(CNC1=[NH+]C(C)=CC=C1C(=O)[O-])OC1=CC=CC(F)=C1	REAL300011087370	1	42	0.0	-43.47	337.27	9.08	-34.39
COC(CNC1=C2C(C)=C(C(=O)[O-])SC2=NC(C[NH+](C)C)=N1)C(C)C	REAL300011087372	1	51	0.0	-64.73	401.11	8.38	-56.35
COC(CNC1=C(C(=O)[O-])C=[NH+]C2=C(C)C=C(C)C=C12)C(C)C	REAL300011087376	0	47	0.0	-39.89	363.23	8.77	-31.12
COC(CNC1=C(C(=O)[O-])C=[NH+]C2=CC=C(C)C=C21)C(C)C	REAL300011087377	0	44	0.0	-43.05	342.14	7.44	-35.61
COC(CNC1=C(C(=O)[O-])C=[NH+]C2=C(C)C(C)=CC=C12)C(C)C	REAL300011087378	0	47	0.0	-40.55	355.74	8.11	-32.44
COC1=CC2=C(NCC(OC)C(C)C)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011087379	0	45	0.0	-44.22	351.07	6.14	-38.08
COC(CNC1=C(C(=O)[O-])C=[NH+]C2=C(C)C=CC=C12)C(C)C	REAL300011087380	0	44	0.0	-35.90	339.15	7.64	-28.26
COC(CNC1=C(C(=O)[O-])C=[NH+]C2=CC3=C(C=C21)OCO3)C(C)C	REAL300011087381	0	44	0.0	-39.99	347.38	6.22	-33.77
COCCCOCCN(C)C1=C2C(C)=C(C(=O)[O-])SC2=NC(C[NH+](C)C)=N1	REAL300011087389	1	55	0.0	-65.73	440.96	8.83	-56.90
COCCCOCCN(C)C1=C(C(=O)[O-])C=[NH+]C2=C(C)C=C(C)C=C21	REAL300011087393	0	51	0.0	-44.25	392.87	8.10	-36.15
COCCCOCCN(C)C1=C(C(=O)[O-])C=[NH+]C2=CC=C(C)C=C21	REAL300011087394	0	48	0.0	-46.04	375.31	7.38	-38.66
COCCCOCCN(C)C1=C(C(=O)[O-])C=[NH+]C2=C(C)C(C)=CC=C21	REAL300011087395	0	51	0.0	-44.63	388.44	8.00	-36.63
COCCCOCCN(C)C1=C(C(=O)[O-])C=[NH+]C2=CC=C(OC)C=C21	REAL300011087396	0	49	0.0	-47.10	383.44	6.02	-41.08
COCCCOCCN(C)C1=C(C(=O)[O-])C=[NH+]C2=C(C)C=CC=C21	REAL300011087397	0	48	0.0	-45.17	371.81	7.46	-37.71
COCCCOCCN(C)C1=C(C(=O)[O-])C=[NH+]C2=CC3=C(C=C21)OCO3	REAL300011087398	0	48	0.0	-44.73	379.99	5.36	-39.37
CC1=CC2=C(N3CCC(OCC4CCOC4)CC3)C(C(=O)[O-])=C[NH+]=C2C(C)=C1	REAL300011087418	0	56	0.0	-42.47	416.47	9.54	-32.93
CC1=CC2=C(N3CCC(OCC4CCOC4)CC3)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011087419	0	53	0.0	-44.76	398.54	8.77	-35.99
CC1=C(C)C2=[NH+]C=C(C(=O)[O-])C(N3CCC(OCC4CCOC4)CC3)=C2C=C1	REAL300011087420	0	56	0.0	-42.52	412.58	9.44	-33.08
COC1=CC2=C(N3CCC(OCC4CCOC4)CC3)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011087421	0	54	0.0	-45.61	406.66	7.41	-38.20
CC1=CC=CC2=C(N3CCC(OCC4CCOC4)CC3)C(C(=O)[O-])=C[NH+]=C12	REAL300011087422	0	53	0.0	-43.52	395.11	8.88	-34.64
O=C([O-])C1=C[NH+]=CC=C1N1CCC(OCC2CCOC2)CC1	REAL300011087425	0	44	0.0	-55.78	341.20	6.37	-49.41
O=C([O-])C1=CC=C[NH+]=C1N1CCC(OCC2CCOC2)CC1	REAL300011087437	0	44	0.0	-55.49	341.08	7.17	-48.32
O=C([O-])C1=CC=C(N2CCC(OCC3CCOC3)CC2)[NH+]=C1	REAL300011087438	1	44	0.0	-40.88	339.03	6.17	-34.71
O=C([O-])C1=CC=[NH+]C(N2CCC(OCC3CCOC3)CC2)=C1	REAL300011087440	0	44	0.0	-47.88	339.50	6.19	-41.69
CC1=[NH+]C(N2CCC(OCC3CCOC3)CC2)=CC=C1C(=O)[O-]	REAL300011087442	0	47	0.0	-40.22	358.44	6.56	-33.66
O=C([O-])C1=C[NH+]=CC=C1N1CCC(OCC2CCOC2)CC1	REAL300011087449	0	44	0.0	-55.78	341.20	6.37	-49.41
O=C([O-])C1=CC(N2CCC(OCC3CCOC3)CC2)=CC=[NH+]1	REAL300011087450	0	44	0.0	-38.57	339.14	5.09	-33.48
CC1=CC=C(C(=O)[O-])C(N2CCC(OCC3CCOC3)CC2)=[NH+]1	REAL300011087451	0	47	0.0	-49.06	362.38	7.74	-41.32
CC1=C(C(=O)[O-])SC2=NC(C[NH+](C)C)=NC(NCC3=NC=NN3C)=C12	REAL300011087453	1	44	0.0	-73.15	366.80	8.48	-64.67
CC1=CC2=C(NCC3=NC=NN3C)C(C(=O)[O-])=C[NH+]=C2C(C)=C1	REAL300011087457	0	40	0.0	-47.64	326.38	8.44	-39.20
CC1=C(C)C2=[NH+]C=C(C(=O)[O-])C(NCC3=NC=NN3C)=C2C=C1	REAL300011087458	0	40	0.0	-39.75	321.39	8.05	-31.70
COC1=CC2=C(NCC3=NC=NN3C)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011087459	0	38	0.0	-43.22	315.20	6.03	-37.19
CN1N=CN=C1CNC1=C(C(=O)[O-])C=[NH+]C2=CC3=C(C=C21)OCO3	REAL300011087460	0	37	0.0	-41.33	312.66	5.41	-35.92
CCOC1=CC=C(C(O)C2CCN(C3=CC=[NH+]C=C3C(=O)[O-])CC2)C=C1	REAL300011087467	0	50	0.0	-54.48	388.23	7.55	-46.93
CCOC1=CC=C(C(O)C2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)C=C1	REAL300011087472	0	50	0.0	-54.33	388.04	8.37	-45.96
CCOC1=CC=C(C(O)C2CCN(C3=CC=C(C(=O)[O-])C=[NH+]3)CC2)C=C1	REAL300011087473	1	50	0.0	-41.90	386.06	7.36	-34.54
CCOC1=CC=C(C(O)C2CCN(C3=CC(C(=O)[O-])=CC=[NH+]3)CC2)C=C1	REAL300011087474	0	50	0.0	-49.71	386.53	7.38	-42.33
CCOC1=CC=C(C(O)C2CCN(C3=CC=C(C(=O)[O-])C(C)=[NH+]3)CC2)C=C1	REAL300011087475	0	53	0.0	-39.44	401.75	7.64	-31.80
CCOC1=CC=C(C(O)C2CCN(C3=CC=[NH+]C=C3C(=O)[O-])CC2)C=C1	REAL300011087479	0	50	0.0	-54.48	388.23	7.55	-46.93
CCOC1=CC=C(C(O)C2CCN(C3=CC=[NH+]C(C(=O)[O-])=C3)CC2)C=C1	REAL300011087480	0	50	0.0	-38.29	380.36	6.47	-31.82
CCOC1=CC=C(C(O)C2CCN(C3=[NH+]C(C)=CC=C3C(=O)[O-])CC2)C=C1	REAL300011087481	0	53	0.0	-49.13	409.45	8.91	-40.22
CSC1CN(C2=C(C(=O)[O-])N=NC3=CC=CC=C32)CC1[NH+]1CCCC1	REAL300011087482	0	47	0.0	-66.45	364.98	8.80	-57.65
CSC1CN(C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)CC1[NH+]1CCCC1	REAL300011087483	0	45	0.0	-72.38	358.22	9.68	-62.70
CSC1CN(C2=C3C(C)=C(C(=O)[O-])SC3=NC(C)=N2)CC1[NH+]1CCCC1	REAL300011087484	0	50	0.0	-65.93	402.73	11.15	-54.78
CSC1CN(C2=C3C(C)=C(C(=O)[O-])SC3=NC=N2)CC1[NH+]1CCCC1	REAL300011087485	0	47	0.0	-64.08	371.89	10.59	-53.49
CSC1CN(C2=CC=C(S(N)(=O)=O)C=C2C(=O)[O-])CC1[NH+]1CCCC1	REAL300011087486	0	48	0.0	-65.13	383.35	4.62	-60.51
COC1=CC=CC2=C(N3CC(SC)C([NH+]4CCCC4)C3)C(C(=O)[O-])=CN=C12	REAL300011087487	0	52	0.0	-63.54	395.07	9.14	-54.40
CSC1CN(C2=C(C(=O)[O-])C=NC3=C(C)C=C(C)C=C32)CC1[NH+]1CCCC1	REAL300011087488	1	54	0.0	-66.22	406.84	11.29	-54.93
CSC1CN(C2=C(C(=O)[O-])C=NC3=CC=C(C)C=C32)CC1[NH+]1CCCC1	REAL300011087489	1	51	0.0	-60.49	387.16	10.42	-50.07
COC1=CC2=C(N3CC(SC)C([NH+]4CCCC4)C3)C(C(=O)[O-])=CN=C2C=C1	REAL300011087491	1	52	0.0	-56.47	395.28	9.06	-47.41
CSC1CN(C2=C(C(=O)[O-])C=NC3=C(C)C=CC=C32)CC1[NH+]1CCCC1	REAL300011087492	1	51	0.0	-61.10	381.44	10.50	-50.60
CSC1CN(C2=CC=C(C(=O)[O-])N=N2)CC1[NH+]1CCCC1	REAL300011087493	0	41	0.0	-73.20	329.90	6.52	-66.68
CSC1CN(C2=NC=C(C(=O)[O-])C=N2)CC1[NH+]1CCCC1	REAL300011087494	0	41	0.0	-58.93	323.44	8.72	-50.21
CSC1CN(C2=NC=CC(C(=O)[O-])=C2[N+](=O)[O-])CC1[NH+]1CCCC1	REAL300011087496	0	44	0.0	-69.18	355.21	9.49	-59.69
CSC1CN(C2=NC=NC=C2C(=O)[O-])CC1[NH+]1CCCC1	REAL300011087497	0	41	0.0	-52.53	328.32	8.89	-43.64
CSC1CN(C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])CC1[NH+]1CCCC1	REAL300011087498	0	48	0.0	-67.80	379.72	11.13	-56.67
CSC1CN(C2=NC3=CC=CC=C3C(C)=C2C(=O)[O-])CC1[NH+]1CCCC1	REAL300011087499	0	51	0.0	-61.05	398.81	11.11	-49.94
CSC1CN(C2=CC(C)=C([N+](=O)[O-])C=C2C(=O)[O-])CC1[NH+]1CCCC1	REAL300011087500	0	48	0.0	-62.86	382.87	11.25	-51.61
CSC1CN(C2=NC(C(=O)[O-])=CC=C2[N+](=O)[O-])CC1[NH+]1CCCC1	REAL300011087501	0	44	0.0	-50.22	361.88	9.83	-40.39
CSC1CN(C2=NC(C)=CC(C(=O)[O-])=C2[N+](=O)[O-])CC1[NH+]1CCCC1	REAL300011087502	0	47	0.0	-66.31	385.50	10.09	-56.22
CSC1CN(C2=NC=C(C(=O)[O-])C=N2)CC1[NH+]1CCCC1	REAL300011087503	0	41	0.0	-58.93	323.44	8.72	-50.21
CSC1CN(C2=NC=C(C(=O)[O-])C=C2[N+](=O)[O-])CC1[NH+]1CCCC1	REAL300011087504	0	44	0.0	-57.56	355.09	9.56	-48.00
CSC1CN(C2=NC=C(C(=O)[O-])S2)CC1[NH+]1CCCC1	REAL300011087505	0	39	0.0	-64.49	320.33	7.44	-57.05
CSC1CN(C2=CC(C(=O)[O-])=NC=N2)CC1[NH+]1CCCC1	REAL300011087506	0	41	0.0	-65.62	330.16	8.12	-57.50
CSC1CN(C2=NC=CC=C2C(=O)[O-])CC1[NH+]1CCCC1	REAL300011087507	0	42	0.0	-55.19	332.69	9.14	-46.05
CSC1CN(C2=CC=C(C(=O)[O-])C=N2)CC1[NH+]1CCCC1	REAL300011087508	0	42	0.0	-63.91	328.97	8.38	-55.53
CSC1CN(C2=NC=NC3=CC(C(=O)[O-])=CC=C32)CC1[NH+]1CCCC1	REAL300011087509	0	47	0.0	-73.16	363.59	10.68	-62.48
CSC1CN(C2=CC(C(=O)[O-])=CC=N2)CC1[NH+]1CCCC1	REAL300011087510	0	42	0.0	-61.56	328.60	8.79	-52.77
CSC1CN(C2=C(C(=O)[O-])C=CC=C2[N+](=O)[O-])CC1[NH+]1CCCC1	REAL300011087511	0	45	0.0	-46.20	340.38	9.93	-36.27
CSC1CN(C2=CC=C(C(=O)[O-])C(C)=N2)CC1[NH+]1CCCC1	REAL300011087512	0	45	0.0	-64.27	353.38	8.89	-55.38
CSC1CN(C2=CN=C(C(=O)[O-])C=N2)CC1[NH+]1CCCC1	REAL300011087513	0	41	0.0	-68.29	329.51	5.65	-62.64
CSC1CN(C2=NC=C(C(=O)[O-])C=C2[N+](=O)[O-])CC1[NH+]1CCCC1	REAL300011087514	0	44	0.0	-57.56	355.09	9.56	-48.00
CSC1CN(C2=NC=C(C(=O)[O-])C(C)=N2)CC1[NH+]1CCCC1	REAL300011087515	0	44	0.0	-57.37	346.26	8.62	-48.75
CSC1CN(C2=NC(C(F)(F)F)=CC=C2C(=O)[O-])CC1[NH+]1CCCC1	REAL300011087516	0	45	0.0	-50.15	373.64	10.19	-39.96
CSC1CN(C2=CC=C(C(=O)[O-])N=N2)CC1[NH+]1CCCC1	REAL300011087517	0	41	0.0	-73.20	329.90	6.52	-66.68
CSC1CN(C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])CC1[NH+]1CCCC1	REAL300011087518	0	48	0.0	-67.80	379.72	11.13	-56.67
CSC1CN(C2=CC=NC(C(=O)[O-])=C2)CC1[NH+]1CCCC1	REAL300011087520	0	42	0.0	-62.89	327.61	6.82	-56.07
CSC1CN(C2=NC(C)=CC=C2C(=O)[O-])CC1[NH+]1CCCC1	REAL300011087521	0	45	0.0	-58.20	354.77	9.70	-48.50
CCOC1CC(NC2=C(C(=O)[O-])C=[NH+]C3=C(C)C=C(C)C=C23)C12CCCO2	REAL300011087528	0	53	0.0	-38.02	398.39	9.49	-28.53
CCOC1CC(NC2=C(C(=O)[O-])C=[NH+]C3=CC=C(C)C=C32)C12CCCO2	REAL300011087529	0	50	0.0	-42.52	384.82	8.29	-34.23
CCOC1CC(NC2=C(C(=O)[O-])C=[NH+]C3=C(C)C(C)=CC=C23)C12CCCO2	REAL300011087530	0	53	0.0	-37.95	394.46	9.38	-28.57
CCOC1CC(NC2=C(C(=O)[O-])C=[NH+]C3=CC=C(OC)C=C32)C12CCCO2	REAL300011087531	0	51	0.0	-40.60	389.49	6.67	-33.93
CCOC1CC(NC2=C(C(=O)[O-])C=[NH+]C3=C(C)C=CC=C23)C12CCCO2	REAL300011087532	0	50	0.0	-37.67	377.97	8.14	-29.53
CCOC1CC(NC2=C(C(=O)[O-])C=[NH+]C3=CC4=C(C=C32)OCO4)C12CCCO2	REAL300011087533	0	50	0.0	-38.93	385.17	6.73	-32.20
CCOC1CC(NC2=CC=C(C(=O)[O-])C(C)=[NH+]2)C12CCCO2	REAL300011087543	1	44	0.0	-41.37	342.33	7.01	-34.36
CCOC1CC(NC2=[NH+]C(C)=CC=C2C(=O)[O-])C12CCCO2	REAL300011087548	1	44	0.0	-35.61	342.92	7.63	-27.98
CC1=CC2=C(NCC3=NC(C(F)(F)F)=NN3)C(C(=O)[O-])=C[NH+]=C2C(C)=C1	REAL300011087555	0	40	0.0	-34.16	349.45	7.50	-26.66
CC1=CC2=C(NCC3=NC(C(F)(F)F)=NN3)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011087556	0	37	0.0	-36.83	331.20	6.74	-30.09
CC1=C(C)C2=[NH+]C=C(C(=O)[O-])C(NCC3=NC(C(F)(F)F)=NN3)=C2C=C1	REAL300011087557	0	40	0.0	-46.60	344.25	7.38	-39.22
COC1=CC2=C(NCC3=NC(C(F)(F)F)=NN3)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011087558	0	38	0.0	-38.94	339.26	5.38	-33.56
CC1=CC=CC2=C(NCC3=NC(C(F)(F)F)=NN3)C(C(=O)[O-])=C[NH+]=C12	REAL300011087559	0	37	0.0	-47.38	327.36	6.83	-40.55
O=C([O-])C1=C(NCC2=NC(C(F)(F)F)=NN2)C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300011087560	0	37	0.0	-36.73	336.14	4.73	-32.00
CC1=CC(Br)=CN2C=C(CCNC3=CC=[NH+]C=C3C(=O)[O-])N=C12	REAL300011087580	0	38	0.0	-42.46	338.00	9.06	-33.40
CC1=CC(Br)=CN2C=C(CCNC3=CC=C(C(=O)[O-])C=[NH+]3)N=C12	REAL300011087586	0	38	0.0	-46.01	342.51	9.66	-36.35
CC1=CC(Br)=CN2C=C(CCNC3=CC(C(=O)[O-])=CC=[NH+]3)N=C12	REAL300011087587	0	38	0.0	-54.38	342.98	9.69	-44.69
CC1=CC(Br)=CN2C=C(CCNC3=CC=C(C(=O)[O-])C(C)=[NH+]3)N=C12	REAL300011087588	0	41	0.0	-43.99	358.46	10.14	-33.85
CC1=CC(Br)=CN2C=C(CCNC3=CC=[NH+]C=C3C(=O)[O-])N=C12	REAL300011087592	0	38	0.0	-42.46	338.00	9.06	-33.40
CC1=CC(Br)=CN2C=C(CCNC3=CC=[NH+]C(C(=O)[O-])=C3)N=C12	REAL300011087593	0	38	0.0	-36.31	342.99	8.78	-27.53
CC1=CC=C(C(=O)[O-])C(NCCC2=CN3C=C(Br)C=C(C)C3=N2)=[NH+]1	REAL300011087594	1	41	0.0	-38.03	359.08	10.68	-27.35
CC1=C(C(=O)[O-])SC2=NC(C[NH+](C)C)=NC(N3CCOCC4(CCC4)C3)=C12	REAL300011087598	1	53	0.0	-70.88	399.33	9.76	-61.12
CC1=CC2=C(N3CCOCC4(CCC4)C3)C(C(=O)[O-])=C[NH+]=C2C(C)=C1	REAL300011087602	0	49	0.0	-36.65	351.19	9.68	-26.97
CC1=CC2=C(N3CCOCC4(CCC4)C3)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011087603	0	46	0.0	-38.68	332.46	8.89	-29.79
CC1=C(C)C2=[NH+]C=C(C(=O)[O-])C(N3CCOCC4(CCC4)C3)=C2C=C1	REAL300011087604	0	49	0.0	-36.51	346.44	9.54	-26.97
COC1=CC2=C(N3CCOCC4(CCC4)C3)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011087605	0	47	0.0	-39.99	340.51	7.53	-32.46
CC1=CC=CC2=C(N3CCOCC4(CCC4)C3)C(C(=O)[O-])=C[NH+]=C12	REAL300011087606	0	46	0.0	-37.53	329.83	9.02	-28.51
O=C([O-])C1=C(N2CCOCC3(CCC3)C2)C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300011087607	0	46	0.0	-30.90	334.49	6.40	-24.50
COCCN1N=CC2=C1C(NC1=C(C(=O)[O-])C=[NH+]C3=C(C)C=C(C)C=C13)CCC2	REAL300011087626	0	55	0.0	-35.25	414.20	8.94	-26.31
COCCN1N=CC2=C1C(NC1=C(C(=O)[O-])C=[NH+]C3=CC=C(C)C=C31)CCC2	REAL300011087627	0	52	0.0	-36.47	397.89	8.55	-27.92
COCCN1N=CC2=C1C(NC1=C(C(=O)[O-])C=[NH+]C3=C(C)C(C)=CC=C13)CCC2	REAL300011087628	0	55	0.0	-34.25	411.96	9.24	-25.01
COCCN1N=CC2=C1C(NC1=C(C(=O)[O-])C=[NH+]C3=CC=C(OC)C=C31)CCC2	REAL300011087629	0	53	0.0	-39.45	407.59	7.10	-32.35
COCCN1N=CC2=C1C(NC1=C(C(=O)[O-])C=[NH+]C3=C(C)C=CC=C13)CCC2	REAL300011087630	0	52	0.0	-35.93	393.06	8.29	-27.64
COCCN1N=CC2=C1C(NC1=CC=[NH+]C=C1C(=O)[O-])CCC2	REAL300011087634	0	43	0.0	-49.07	340.05	6.33	-42.74
COCCN1N=CC2=C1C(NC1=CC(C(=O)[O-])=CC=[NH+]1)CCC2	REAL300011087649	1	43	0.0	-46.99	344.10	6.93	-40.06
COCCN1N=CC2=C1C(NC1=CC=C(C(=O)[O-])C(C)=[NH+]1)CCC2	REAL300011087651	1	46	0.0	-40.99	359.58	7.38	-33.61
COCCN1N=CC2=C1C(NC1=CC=[NH+]C=C1C(=O)[O-])CCC2	REAL300011087658	0	43	0.0	-49.07	340.05	6.33	-42.74
COCCN1N=CC2=C1C(NC1=CC=[NH+]C(C(=O)[O-])=C1)CCC2	REAL300011087659	0	43	0.0	-39.86	345.04	6.05	-33.81
COCCN1N=CC2=C1C(NC1=[NH+]C(C)=CC=C1C(=O)[O-])CCC2	REAL300011087660	1	46	0.0	-44.52	361.34	8.05	-36.47
CCOC1CC(NC2=C3C(C)=C(C(=O)[O-])SC3=NC(C[NH+](C)C)=N2)C1OC	REAL300011087664	1	53	0.0	-64.58	426.62	8.34	-56.24
CCOC1CC(NC2=C(C(=O)[O-])C=[NH+]C3=C(C)C=C(C)C=C23)C1OC	REAL300011087668	0	49	0.0	-35.54	378.67	8.19	-27.35
CCOC1CC(NC2=C(C(=O)[O-])C=[NH+]C3=CC=C(C)C=C32)C1OC	REAL300011087669	0	46	0.0	-37.41	360.69	7.41	-30.00
CCOC1CC(NC2=C(C(=O)[O-])C=[NH+]C3=C(C)C(C)=CC=C23)C1OC	REAL300011087670	0	49	0.0	-41.86	380.36	7.90	-33.96
CCOC1CC(NC2=C(C(=O)[O-])C=[NH+]C3=CC=C(OC)C=C32)C1OC	REAL300011087671	0	47	0.0	-38.96	368.81	6.06	-32.90
CCOC1CC(NC2=C(C(=O)[O-])C=[NH+]C3=C(C)C=CC=C23)C1OC	REAL300011087672	0	46	0.0	-40.87	364.31	6.69	-34.18
CCOC1CC(NC2=C(C(=O)[O-])C=[NH+]C3=CC4=C(C=C32)OCO4)C1OC	REAL300011087673	0	46	0.0	-36.56	365.42	5.43	-31.13
CC1=CC2=C(N3CCC4(C3)CC(=O)C3=CC=CC=C3O4)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011087690	0	49	0.0	-26.94	359.89	9.28	-17.66
CC1=CC=CC2=C(N3CCC4(C3)CC(=O)C3=CC=CC=C3O4)C(C(=O)[O-])=C[NH+]=C12	REAL300011087691	0	49	0.0	-45.82	365.00	10.17	-35.65
O=C([O-])C1=C[NH+]=CC=C1N1CCC2(C1)CC(=O)C1=CC=CC=C1O2	REAL300011087695	0	40	0.0	-59.18	323.75	7.78	-51.40
O=C([O-])C1=CC=C[NH+]=C1N1CCC2(C1)CC(=O)C1=CC=CC=C1O2	REAL300011087707	0	40	0.0	-52.88	322.17	8.66	-44.22
O=C([O-])C1=CC=C(N2CCC3(C2)CC(=O)C2=CC=CC=C2O3)[NH+]=C1	REAL300011087708	1	40	0.0	-43.87	321.08	7.55	-36.32
O=C([O-])C1=CC=[NH+]C(N2CCC3(C2)CC(=O)C2=CC=CC=C2O3)=C1	REAL300011087710	0	40	0.0	-54.50	321.52	7.58	-46.92
CC1=[NH+]C(N2CCC3(C2)CC(=O)C2=CC=CC=C2O3)=CC=C1C(=O)[O-]	REAL300011087712	0	43	0.0	-41.14	338.56	7.68	-33.46
O=C([O-])C1=C[NH+]=CC=C1N1CCC2(C1)CC(=O)C1=CC=CC=C1O2	REAL300011087719	0	40	0.0	-59.18	323.75	7.78	-51.40
O=C([O-])C1=CC(N2CCC3(C2)CC(=O)C2=CC=CC=C2O3)=CC=[NH+]1	REAL300011087720	0	40	0.0	-40.00	324.18	6.67	-33.33
CC1=CC=C(C(=O)[O-])C(N2CCC3(C2)CC(=O)C2=CC=CC=C2O3)=[NH+]1	REAL300011087721	0	43	0.0	-47.85	343.55	9.22	-38.63
CC1=[NH+]C(N[C@@H](C)C2=CC=C(C(C)(C)C)C=C2)=CC=C1C(=O)[O-]	REAL300011087729	1	47	0.0	-38.49	359.43	10.72	-27.77
CC1=CC=C(C(=O)[O-])C(N[C@@H](C)C2=CC=C(C(C)(C)C)C=C2)=[NH+]1	REAL300011087731	1	47	0.0	-40.40	361.15	11.39	-29.01
CCC1=CC=C2OCC[C@H](NC3=CC=C(C(=O)[O-])C(C)=[NH+]3)C2=C1	REAL300011087739	1	43	0.0	-41.68	342.11	9.19	-32.49
CCC1=CC=C2OCC[C@H](NC3=[NH+]C(C)=CC=C3C(=O)[O-])C2=C1	REAL300011087741	1	43	0.0	-41.24	339.16	9.78	-31.46
CC1=C(C(=O)[O-])SC2=NC(C[NH+](C)C)=NC(NCC3CC(C)OC3C)=C12	REAL300011087744	1	52	0.0	-65.88	402.18	8.57	-57.31
CC1=CC2=C(NCC3CC(C)OC3C)C(C(=O)[O-])=C[NH+]=C2C(C)=C1	REAL300011087748	0	48	0.0	-38.86	364.78	8.66	-30.20
CC1=CC2=C(NCC3CC(C)OC3C)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011087749	0	45	0.0	-40.52	352.56	8.10	-32.42
CC1=C(C)C2=[NH+]C=C(C(=O)[O-])C(NCC3CC(C)OC3C)=C2C=C1	REAL300011087750	0	48	0.0	-37.00	364.06	8.67	-28.33
COC1=CC2=C(NCC3CC(C)OC3C)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011087751	0	46	0.0	-41.43	360.66	6.74	-34.69
CC1=CC=CC2=C(NCC3CC(C)OC3C)C(C(=O)[O-])=C[NH+]=C12	REAL300011087752	0	45	0.0	-37.78	347.14	8.13	-29.65
CC1CC(CNC2=C(C(=O)[O-])C=[NH+]C3=CC4=C(C=C32)OCO4)C(C)O1	REAL300011087753	0	45	0.0	-38.76	351.81	5.89	-32.87
CC1=[NH+]C(N[C@H](C)C2=CC=C3CCCCC3=C2)=CC=C1C(=O)[O-]	REAL300011087770	1	45	0.0	-38.58	345.87	10.88	-27.70
CC1=CC=C(C(=O)[O-])C(N[C@H](C)C2=CC=C3CCCCC3=C2)=[NH+]1	REAL300011087772	1	45	0.0	-40.45	346.72	11.57	-28.88
CC1=[NH+]C(N[C@@H](C)C2=CC=C3CCCCC3=C2)=CC=C1C(=O)[O-]	REAL300011087780	1	45	0.0	-38.58	345.93	10.89	-27.69
CC1=CC=C(C(=O)[O-])C(N[C@@H](C)C2=CC=C3CCCCC3=C2)=[NH+]1	REAL300011087782	1	45	0.0	-40.60	347.66	11.56	-29.04
CC1=C(C(=O)[O-])SC2=NC(C[NH+](C)C)=NC(NCC3CCCC(F)(F)C3)=C12	REAL300011087786	1	51	0.0	-71.00	404.12	10.74	-60.26
CC1=CC2=C(NCC3CCCC(F)(F)C3)C(C(=O)[O-])=C[NH+]=C2C(C)=C1	REAL300011087790	0	47	0.0	-41.22	365.25	10.75	-30.47
CC1=CC2=C(NCC3CCCC(F)(F)C3)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011087791	0	44	0.0	-40.35	348.90	10.00	-30.35
CC1=C(C)C2=[NH+]C=C(C(=O)[O-])C(NCC3CCCC(F)(F)C3)=C2C=C1	REAL300011087792	0	47	0.0	-41.21	360.82	10.65	-30.56
COC1=CC2=C(NCC3CCCC(F)(F)C3)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011087793	0	45	0.0	-41.59	356.99	8.64	-32.95
CC1=CC=CC2=C(NCC3CCCC(F)(F)C3)C(C(=O)[O-])=C[NH+]=C12	REAL300011087794	0	44	0.0	-42.17	343.86	10.10	-32.07
O=C([O-])C1=C(NCC2CCCC(F)(F)C2)C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300011087795	0	44	0.0	-43.50	352.32	7.99	-35.51
O=C([O-])C1=C[NH+]=CC=C1N1CC=C(C2=CC=CC(Br)=C2)CC1	REAL300011087812	0	37	0.0	-43.14	311.57	9.08	-34.06
O=C([O-])C1=CC=C[NH+]=C1N1CC=C(C2=CC=CC(Br)=C2)CC1	REAL300011087817	0	37	0.0	-42.15	312.70	10.19	-31.96
O=C([O-])C1=CC=C(N2CC=C(C3=CC=CC(Br)=C3)CC2)[NH+]=C1	REAL300011087818	1	37	0.0	-40.58	318.23	9.59	-30.99
O=C([O-])C1=CC=[NH+]C(N2CC=C(C3=CC=CC(Br)=C3)CC2)=C1	REAL300011087819	0	37	0.0	-44.69	318.53	9.61	-35.08
CC1=[NH+]C(N2CC=C(C3=CC=CC(Br)=C3)CC2)=CC=C1C(=O)[O-]	REAL300011087820	0	40	0.0	-35.66	343.00	10.51	-25.15
O=C([O-])C1=C[NH+]=CC=C1N1CC=C(C2=CC=CC(Br)=C2)CC1	REAL300011087824	0	37	0.0	-43.14	311.57	9.08	-34.06
O=C([O-])C1=CC(N2CC=C(C3=CC=CC(Br)=C3)CC2)=CC=[NH+]1	REAL300011087825	0	37	0.0	-37.23	323.41	9.13	-28.10
CC1=CC=C(C(=O)[O-])C(N2CC=C(C3=CC=CC(Br)=C3)CC2)=[NH+]1	REAL300011087826	0	40	0.0	-47.12	346.14	11.72	-35.40
CCOC1CC(NC2=C(C(=O)[O-])C=[NH+]C3=C(C)C=C(C)C=C23)C12CCOCC2	REAL300011087833	0	56	0.0	-31.25	397.56	8.98	-22.27
CCOC1CC(NC2=C(C(=O)[O-])C=[NH+]C3=CC=C(C)C=C32)C12CCOCC2	REAL300011087834	0	53	0.0	-39.13	382.85	8.43	-30.70
CCOC1CC(NC2=C(C(=O)[O-])C=[NH+]C3=C(C)C(C)=CC=C23)C12CCOCC2	REAL300011087835	0	56	0.0	-36.74	406.01	8.95	-27.79
CCOC1CC(NC2=C(C(=O)[O-])C=[NH+]C3=CC=C(OC)C=C32)C12CCOCC2	REAL300011087836	0	54	0.0	-39.48	390.99	7.07	-32.41
CCOC1CC(NC2=C(C(=O)[O-])C=[NH+]C3=C(C)C=CC=C23)C12CCOCC2	REAL300011087837	0	53	0.0	-38.22	379.42	8.55	-29.67
CCOC1CC(NC2=CC=[NH+]C=C2C(=O)[O-])C12CCOCC2	REAL300011087840	0	44	0.0	-39.62	327.87	5.94	-33.68
CCOC1CC(NC2=CC(C(=O)[O-])=CC=[NH+]2)C12CCOCC2	REAL300011087855	1	44	0.0	-47.10	334.32	6.49	-40.61
CCOC1CC(NC2=CC=C(C(=O)[O-])C(C)=[NH+]2)C12CCOCC2	REAL300011087857	1	47	0.0	-40.86	351.95	7.15	-33.71
CCOC1CC(NC2=CC=[NH+]C=C2C(=O)[O-])C12CCOCC2	REAL300011087864	0	44	0.0	-39.62	327.87	5.94	-33.68
CCOC1CC(NC2=CC=[NH+]C(C(=O)[O-])=C2)C12CCOCC2	REAL300011087865	0	44	0.0	-34.42	334.41	5.79	-28.63
CCOC1CC(NC2=[NH+]C(C)=CC=C2C(=O)[O-])C12CCOCC2	REAL300011087866	1	47	0.0	-35.27	349.57	7.62	-27.65
CCC(CC)(CNC1=CC=[NH+]C=C1C(=O)[O-])C1=CC=C(OC)C(OC)=C1	REAL300011087870	0	52	0.0	-46.23	387.12	8.56	-37.67
CCC(CC)(CNC1=CC(C(=O)[O-])=CC=[NH+]1)C1=CC=C(OC)C(OC)=C1	REAL300011087877	0	52	0.0	-52.75	392.12	9.20	-43.55
CCC(CC)(CNC1=CC=C(C(=O)[O-])C(C)=[NH+]1)C1=CC=C(OC)C(OC)=C1	REAL300011087878	0	55	0.0	-46.22	407.62	9.65	-36.57
CCC(CC)(CNC1=CC=[NH+]C=C1C(=O)[O-])C1=CC=C(OC)C(OC)=C1	REAL300011087882	0	52	0.0	-46.23	387.12	8.56	-37.67
CCC(CC)(CNC1=CC=[NH+]C(C(=O)[O-])=C1)C1=CC=C(OC)C(OC)=C1	REAL300011087883	0	52	0.0	-40.40	392.12	8.28	-32.12
CCC(CC)(CNC1=[NH+]C(C)=CC=C1C(=O)[O-])C1=CC=C(OC)C(OC)=C1	REAL300011087884	1	55	0.0	-42.83	408.21	10.19	-32.64
CC1=C(C(=O)[O-])SC2=NC(C[NH+](C)C)=NC(NCCC3=CCCCCC3)=C12	REAL300011087894	1	55	0.0	-64.30	424.41	11.80	-52.50
CC1=CC2=C(NCCC3=CCCCCC3)C(C(=O)[O-])=C[NH+]=C2C(C)=C1	REAL300011087898	0	51	0.0	-37.38	385.97	11.83	-25.55
CC1=CC2=C(NCCC3=CCCCCC3)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011087899	0	48	0.0	-40.85	367.17	10.98	-29.87
CC1=C(C)C2=[NH+]C=C(C(=O)[O-])C(NCCC3=CCCCCC3)=C2C=C1	REAL300011087900	0	51	0.0	-38.70	381.04	11.69	-27.01
COC1=CC2=C(NCCC3=CCCCCC3)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011087901	0	49	0.0	-41.92	375.28	9.62	-32.30
CC1=CC=CC2=C(NCCC3=CCCCCC3)C(C(=O)[O-])=C[NH+]=C12	REAL300011087902	0	48	0.0	-38.12	364.06	11.11	-27.01
O=C([O-])C1=C(NCCC2=CCCCCC2)C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300011087903	0	48	0.0	-38.23	372.20	9.01	-29.22
COC1(CNC2=C3C(C)=C(C(=O)[O-])SC3=NC(C[NH+](C)C)=N2)CCOC1	REAL300011087919	1	50	0.0	-70.50	393.24	6.16	-64.34
COC1(CNC2=C(C(=O)[O-])C=[NH+]C3=C(C)C=C(C)C=C23)CCOC1	REAL300011087923	0	46	0.0	-31.99	347.86	5.70	-26.29
COC1(CNC2=C(C(=O)[O-])C=[NH+]C3=CC=C(C)C=C32)CCOC1	REAL300011087924	0	43	0.0	-38.30	315.82	5.09	-33.21
COC1(CNC2=C(C(=O)[O-])C=[NH+]C3=C(C)C(C)=CC=C23)CCOC1	REAL300011087925	0	46	0.0	-29.85	336.51	5.07	-24.78
COC1=CC2=C(NCC3(OC)CCOC3)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011087926	0	44	0.0	-35.30	327.28	3.63	-31.67
COC1(CNC2=C(C(=O)[O-])C=[NH+]C3=C(C)C=CC=C23)CCOC1	REAL300011087927	0	43	0.0	-30.61	318.85	4.52	-26.09
COC1(CNC2=C(C(=O)[O-])C=[NH+]C3=CC4=C(C=C32)OCO4)CCOC1	REAL300011087928	0	43	0.0	-36.44	320.55	3.09	-33.35
CC1=C(C(=O)[O-])SC2=NC(C[NH+](C)C)=NC(NCC3CC3(F)F)=C12	REAL300011087939	1	42	0.0	-65.84	356.15	9.00	-56.84
CC1=CC2=C(NCC3CC3(F)F)C(C(=O)[O-])=C[NH+]=C2C(C)=C1	REAL300011087942	0	38	0.0	-44.25	315.80	8.90	-35.35
CC1=C(C)C2=[NH+]C=C(C(=O)[O-])C(NCC3CC3(F)F)=C2C=C1	REAL300011087943	0	38	0.0	-44.47	311.95	8.85	-35.62
COC1=CC2=C(NCC3CC3(F)F)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011087944	0	36	0.0	-47.25	306.09	6.78	-40.47
O=C([O-])C1=C(NCC2CC2(F)F)C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300011087945	0	35	0.0	-45.49	302.69	6.15	-39.34
CC1=CC2=C(N3CCC(C)C4(CCCCC4)C3)C(C(=O)[O-])=C[NH+]=C2C(C)=C1	REAL300011087954	0	57	0.0	-36.76	388.42	12.59	-24.17
CC1=CC2=C(N3CCC(C)C4(CCCCC4)C3)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011087955	0	54	0.0	-39.30	370.75	11.83	-27.47
CC1=C(C)C2=[NH+]C=C(C(=O)[O-])C(N3CCC(C)C4(CCCCC4)C3)=C2C=C1	REAL300011087956	0	57	0.0	-36.75	384.54	12.49	-24.26
COC1=CC2=C(N3CCC(C)C4(CCCCC4)C3)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011087957	0	55	0.0	-40.01	378.88	10.48	-29.53
CC1=CC=CC2=C(N3CCC(C)C4(CCCCC4)C3)C(C(=O)[O-])=C[NH+]=C12	REAL300011087958	0	54	0.0	-37.71	367.07	11.94	-25.77
CC1CCN(C2=C(C(=O)[O-])C=[NH+]C3=CC4=C(C=C32)OCO4)CC12CCCCC2	REAL300011087959	0	54	0.0	-36.99	375.22	9.85	-27.14
CC1=[NH+]C(N2CCC(C)C3(CCCCC3)C2)=CC=C1C(=O)[O-]	REAL300011087970	0	48	0.0	-34.08	328.82	9.58	-24.50
CC1=CC=C(C(=O)[O-])C(N2CCC(C)C3(CCCCC3)C2)=[NH+]1	REAL300011087975	0	48	0.0	-42.93	334.11	10.79	-32.14
CC1=CC2=C(NC3CCCC4=C3N(C(C)C)N=C4)C(C(=O)[O-])=C[NH+]=C2C(C)=C1	REAL300011087982	0	54	0.0	-41.64	400.23	10.68	-30.96
CC1=CC2=C(NC3CCCC4=C3N(C(C)C)N=C4)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011087983	0	51	0.0	-36.33	383.69	10.11	-26.22
CC1=C(C)C2=[NH+]C=C(C(=O)[O-])C(NC3CCCC4=C3N(C(C)C)N=C4)=C2C=C1	REAL300011087984	0	54	0.0	-33.03	393.36	10.30	-22.73
COC1=CC2=C(NC3CCCC4=C3N(C(C)C)N=C4)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011087985	0	52	0.0	-37.91	391.79	8.76	-29.15
CC1=CC=CC2=C(NC3CCCC4=C3N(C(C)C)N=C4)C(C(=O)[O-])=C[NH+]=C12	REAL300011087986	0	51	0.0	-34.74	380.20	10.22	-24.52
CC(C)N1N=CC2=C1C(NC1=C(C(=O)[O-])C=[NH+]C3=CC4=C(C=C31)OCO4)CCC2	REAL300011087987	0	51	0.0	-35.43	388.41	8.12	-27.31
CC(C)N1N=CC2=C1C(NC1=CC=[NH+]C=C1C(=O)[O-])CCC2	REAL300011087990	0	42	0.0	-46.27	327.26	7.97	-38.30
COC1=CC=C([C@@H]2CN(C3=[NH+]C4=CC(C)=CC=C4C(C)=C3)C[C@H]2C(=O)[O-])C=C1	REAL300011261178	1	52	0.0	-49.34	403.35	10.82	-38.52
COC1=CC=C([C@@H]2CN(C3=CC(C)=[NH+]C4=CC=CC=C43)C[C@H]2C(=O)[O-])C=C1	REAL300011261194	0	49	0.0	-58.80	378.80	9.54	-49.26
COC1=CC=C([C@@H]2CN(C3=CC(C)=[NH+]C(C)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261200	1	45	0.0	-59.46	358.22	8.32	-51.14
COC1=CC=C([C@@H]2CN(C3=CC=[NH+]C4=CC=CC=C43)C[C@H]2C(=O)[O-])C=C1	REAL300011261208	0	46	0.0	-67.95	364.45	9.41	-58.54
COC1=CC=C([C@@H]2CN(C3=CC(C)=CC=[NH+]3)C[C@H]2C(=O)[O-])C=C1	REAL300011261211	1	43	0.0	-51.14	341.52	8.49	-42.65
COC1=CC=C([C@@H]2CN(C3=CC(C(F)(F)F)=CC=[NH+]3)C[C@H]2C(=O)[O-])C=C1	REAL300011261212	1	43	0.0	-54.35	359.32	8.83	-45.52
COC1=CC=C([C@@H]2CN(C3=CC=CC(C)=[NH+]3)C[C@H]2C(=O)[O-])C=C1	REAL300011261225	1	43	0.0	-54.08	339.34	8.07	-46.01
COC1=CC=C([C@@H]2CN(C3=CC(C)=[NH+]C4=C(OC)C=CC=C34)C[C@H]2C(=O)[O-])C=C1	REAL300011261243	1	53	0.0	-48.45	409.18	9.00	-39.45
COC1=CC=C([C@@H]2CN(C3=C4C=CNC4=NC=[NH+]3)C[C@H]2C(=O)[O-])C=C1	REAL300011261244	0	43	0.0	-56.01	339.98	8.56	-47.45
COC1=CC=C([C@@H]2CN(C3=CC(C)=[NH+]C=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261261	1	42	0.0	-61.84	336.55	8.45	-53.39
COC1=CC=C([C@@H]2CN(C3=[NH+]C=CC(N4CCOCC4)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261275	0	52	0.0	-66.67	399.81	7.51	-59.16
COC1=CC=C([C@@H]2CN(C3=CC(N4CCOCC4)=NC=[NH+]3)C[C@H]2C(=O)[O-])C=C1	REAL300011261276	0	52	0.0	-50.50	402.22	7.61	-42.89
COC1=CC=C([C@@H]2CN(C3=CC(N4CCOCC4)=[NH+]C=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261276	1	52	0.0	-56.75	400.06	7.78	-48.97
CCCC1=CC2=C(N3C[C@@H](C4=CC=C(OC)C=C4)[C@H](C(=O)[O-])C3)C=C[NH+]=C2C=C1	REAL300011261288	0	55	0.0	-55.16	423.84	11.20	-43.96
CCC1=CC2=C(N3C[C@@H](C4=CC=C(OC)C=C4)[C@H](C(=O)[O-])C3)C=C[NH+]=C2C=C1	REAL300011261289	0	52	0.0	-55.00	402.34	10.42	-44.58
COC1=CC=C([C@@H]2CN(C3=CC(N4CCCC4)=[NH+]C=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261294	0	51	0.0	-60.76	393.47	9.20	-51.56
COC1=CC=C([C@@H]2CN(C3=CC(N4CCCC4)=NC=[NH+]3)C[C@H]2C(=O)[O-])C=C1	REAL300011261294	1	51	0.0	-48.98	394.82	9.18	-39.80
COC1=CC=C([C@@H]2CN(C3=CC(N4CCCCC4)=[NH+]C=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261295	0	54	0.0	-56.11	409.32	10.26	-45.85
COC1=CC=C([C@@H]2CN(C3=CC(N4CCCCC4)=NC=[NH+]3)C[C@H]2C(=O)[O-])C=C1	REAL300011261295	1	54	0.0	-48.29	411.14	10.07	-38.22
COC1=CC=C([C@@H]2CN(C3=CC=[NH+]C(C(C)C)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261297	1	48	0.0	-63.10	376.28	8.88	-54.22
COC1=CC=C([C@@H]2CN(C3=[NH+]C=CC(N4CCCC4)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261299	0	51	0.0	-55.08	395.16	9.69	-45.39
COC1=CC=C([C@@H]2CN(C3=CC(NC4CC4)=[NH+]C=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261313	0	48	0.0	-60.67	380.85	9.18	-51.49
COC1=CC=C([C@@H]2CN(C3=CC(NC4CC4)=NC=[NH+]3)C[C@H]2C(=O)[O-])C=C1	REAL300011261313	1	48	0.0	-55.13	379.47	8.96	-46.17
COC1=CC=C([C@@H]2CN(C3=CC(C(F)(F)F)=CC=[NH+]3)C[C@H]2C(=O)[O-])C=C1	REAL300011261314	1	43	0.0	-54.35	359.32	8.83	-45.52
COC1=CC=C([C@@H]2CN(C3=CC=[NH+]C(N(C)C)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261317	0	47	0.0	-59.01	368.68	10.30	-48.71
COC1=CC=C([C@@H]2CN(C3=C4SC=CC4=[NH+]C=C3)C[C@H]2C(=O)[O-])C=C1	REAL300011261327	1	43	0.0	-69.40	356.37	8.13	-61.27
COC1=CC=C([C@@H]2CN(C3=C4C=CNC4=NC(C)=[NH+]3)C[C@H]2C(=O)[O-])C=C1	REAL300011261333	0	46	0.0	-46.09	363.46	8.50	-37.59
COC1=CC=C([C@@H]2CN(C3=C(C)C=[NH+]C4=C(C)C=CC=C43)C[C@H]2C(=O)[O-])C=C1	REAL300011261342	0	52	0.0	-65.07	387.09	10.25	-54.82
COC1=CC=C([C@@H]2CN(C3=CC(NCC4CC4)=[NH+]C=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261352	0	51	0.0	-58.56	403.92	10.00	-48.56
COC1=CC=C([C@@H]2CN(C3=CC(NCC4CC4)=NC=[NH+]3)C[C@H]2C(=O)[O-])C=C1	REAL300011261352	1	51	0.0	-55.22	400.84	9.30	-45.92
COC1=CC=C([C@@H]2CN(C3=[NH+]C=CC(N(C)C)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261353	0	47	0.0	-52.88	370.00	9.62	-43.26
CCC1=[NH+]C(C)=CC(N2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)=N1	REAL300011261354	1	48	0.0	-58.35	378.69	9.06	-49.29
CCC1=CC(N2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)=NC(C)=[NH+]1	REAL300011261376	1	48	0.0	-57.87	379.58	9.07	-48.80
COC1=CC=C([C@@H]2CN(C3=CC=[NH+]C(N4CCCCC4)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261383	0	54	0.0	-57.02	411.69	10.80	-46.22
CCC1=C(N2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)C2=CC=CC=C2[NH+]=C1C	REAL300011261385	0	55	0.0	-56.10	412.81	11.00	-45.10
COC1=CC=C([C@@H]2CN(C3=[NH+]C=NC4=C3C3=C(C=CC=C3)N4)C[C@H]2C(=O)[O-])C=C1	REAL300011261386	1	49	0.0	-47.25	385.21	10.61	-36.64
CCCC1=[NH+]C2=CC=CC=C2C(N2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)=C1	REAL300011261390	0	55	0.0	-60.28	428.70	11.49	-48.79
CCC1=[NH+]C2=CC=CC=C2C(N2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)=C1	REAL300011261391	0	52	0.0	-60.44	407.21	10.71	-49.73
COC1=CC=C([C@@H]2CN(C3=CC(NCC(C)O)=[NH+]C=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261408	0	51	0.0	-61.87	403.80	5.84	-56.03
COC1=CC=C([C@@H]2CN(C3=CC(NCC(C)O)=NC=[NH+]3)C[C@H]2C(=O)[O-])C=C1	REAL300011261408	1	51	0.0	-57.12	401.74	5.17	-51.95
COC1=CC=C([C@@H]2CN(C3=[NH+]C(C)=CC4=CC=CC=C43)C[C@H]2C(=O)[O-])C=C1	REAL300011261415	0	49	0.0	-51.58	378.86	10.66	-40.92
COC1=CC=C([C@@H]2CN(C3=C(C)C(C)=[NH+]C4=CC=CC=C43)C[C@H]2C(=O)[O-])C=C1	REAL300011261416	0	52	0.0	-56.45	393.24	10.33	-46.12
CCCCNC1=CC(N2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)=NC(N)=[NH+]1	REAL300011261432	0	55	0.0	-58.20	429.73	9.25	-48.95
CCCCNC1=CC(N2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)=[NH+]C(N)=N1	REAL300011261432	1	55	0.0	-46.04	429.79	9.03	-37.01
COC1=CC=C([C@@H]2CN(C3=NC(C(C)C)=[NH+]C(N(C)C)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261435	1	55	0.0	-57.12	424.23	12.62	-44.50
COC1=CC=C([C@@H]2CN(C3=[NH+]C(C(C)C)=NC(N(C)C)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261435	1	55	0.0	-53.20	425.98	12.69	-40.51
COC1=CC=C([C@@H]2CN(C3=CC(N4C=CC=N4)=NC(N)=[NH+]3)C[C@H]2C(=O)[O-])C=C1	REAL300011261436	0	48	0.0	-53.01	388.51	8.91	-44.10
COC1=CC=C([C@@H]2CN(C3=[NH+]C=CC4=CC=C([N+](=O)[O-])C=C43)C[C@H]2C(=O)[O-])C=C1	REAL300011261440	1	48	0.0	-56.62	387.52	10.81	-45.81
COC1=CC=C([C@@H]2CN(C3=CC(C)=[NH+]C(C)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261454	1	45	0.0	-59.46	358.22	8.32	-51.14
COC1=CC=C([C@@H]2CN(C3=CC=[NH+]C(C)=C3)C[C@H]2C(=O)[O-])C=C1	REAL300011261480	0	43	0.0	-64.02	339.00	7.44	-56.58
COC1=CC=C([C@@H]2CN(C3=CC=[NH+]C(C)=C3)C[C@H]2C(=O)[O-])C=C1	REAL300011261483	0	43	0.0	-64.02	339.00	7.44	-56.58
COC1=CC=C([C@@H]2CN(C3=CC=[NH+]C=C3C)C[C@H]2C(=O)[O-])C=C1	REAL300011261490	0	43	0.0	-65.87	333.22	7.71	-58.16
COC1=CC=C([C@@H]2CN(C3=CC(C(F)(F)F)=CC=[NH+]3)C[C@H]2C(=O)[O-])C=C1	REAL300011261497	1	43	0.0	-54.35	359.32	8.83	-45.52
CCC1=CC(N2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)=CC=[NH+]1	REAL300011261506	0	46	0.0	-63.72	360.43	8.16	-55.56
COC1=CC=C([C@@H]2CN(C3=CC=[NH+]C=C3Cl)C[C@H]2C(=O)[O-])C=C1	REAL300011261518	1	40	0.0	-70.09	329.20	7.34	-62.75
COC1=CC=C([C@@H]2CN(C3=CC=[NH+]C(CO)=C3)C[C@H]2C(=O)[O-])C=C1	REAL300011261525	0	44	0.0	-69.11	348.22	4.26	-64.85
COC1=CC=C([C@@H]2CN(C3=CC(CO)=CC=[NH+]3)C[C@H]2C(=O)[O-])C=C1	REAL300011261527	1	44	0.0	-52.50	352.88	5.13	-47.37
COC1=CC=C([C@@H]2CN(C3=[NH+]C=CC=C3OC)C[C@H]2C(=O)[O-])C=C1	REAL300011261530	1	44	0.0	-63.37	343.66	7.29	-56.08
COC1=CC=C([C@@H]2CN(C3=[NH+]C=CC4=CC=C(C)C=C43)C[C@H]2C(=O)[O-])C=C1	REAL300011261532	1	49	0.0	-46.65	380.84	10.80	-35.85
COC1=CC=C([C@@H]2CN(C3=[NH+]C=CC4=C(C)C=CC=C43)C[C@H]2C(=O)[O-])C=C1	REAL300011261534	1	49	0.0	-46.12	377.43	10.68	-35.44
COC1=CC=C([C@@H]2CN(C3=[NH+]C=CC4=CC=CC(C)=C43)C[C@H]2C(=O)[O-])C=C1	REAL300011261539	1	49	0.0	-57.70	379.59	12.64	-45.06
COC1=CC=C([C@@H]2CN(C3=CC=CC(C(C)O)=[NH+]3)C[C@H]2C(=O)[O-])C=C1	REAL300011261540	1	47	0.0	-58.47	368.63	5.92	-52.55
COC1=CC=C([C@@H]2CN(C3=C4C=CNC4=NC(C4CC4)=[NH+]3)C[C@H]2C(=O)[O-])C=C1	REAL300011261546	0	50	0.0	-49.40	389.85	10.04	-39.36
COC1=CC=C([C@@H]2CN(C3=CC=[NH+]C=C3CO)C[C@H]2C(=O)[O-])C=C1	REAL300011261550	0	44	0.0	-62.86	341.97	4.28	-58.58
COC1=CC=C([C@@H]2CN(C3=NC=[NH+]C(C)=C3OC)C[C@H]2C(=O)[O-])C=C1	REAL300011261551	1	46	0.0	-65.49	368.39	7.91	-57.58
COC1=CC=C([C@@H]2CN(C3=NC(C4CC4)=[NH+]C(C)=C3OC)C[C@H]2C(=O)[O-])C=C1	REAL300011261553	1	53	0.0	-62.95	403.18	8.84	-54.11
COC1=CC=C([C@@H]2CN(C3=C4SC=CC4=[NH+]C=C3)C[C@H]2C(=O)[O-])C=C1	REAL300011261557	1	43	0.0	-69.40	356.37	8.13	-61.27
COC1=CC=C([C@@H]2CN(C3=CC(C)=[NH+]C=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261565	1	42	0.0	-61.84	336.55	8.45	-53.39
CC1=CC2=[NH+]C(N3CCC4(C(=O)[O-])CCCC34)=CC(C)=C2C=C1	REAL300011261602	1	45	0.0	-43.06	339.56	10.24	-32.82
O=C([O-])C12CCCC1N(C1=CC=[NH+]C3=CC(C(F)(F)F)=CC=C31)CC2	REAL300011261621	1	42	0.0	-52.54	330.77	8.99	-43.55
COC1=CC2=NC(N3CCC4(C(=O)[O-])CCCC34)=[NH+]C(N)=C2C=C1OC	REAL300011261623	0	48	0.0	-61.19	365.82	7.51	-53.68
O=C([O-])C12CCCC1N(C1=CC(C(F)(F)F)=CC=[NH+]1)CC2	REAL300011261625	1	36	0.0	-50.01	288.26	7.87	-42.14
COC1=CC=CC2=C(N3CCC4(C(=O)[O-])CCCC34)C=C(C)[NH+]=C12	REAL300011261646	1	46	0.0	-45.39	348.41	8.54	-36.85
CC1=CC(N2CCC3(C(=O)[O-])CCCC23)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300011261648	1	47	0.0	-65.73	376.45	11.45	-54.28
O=C([O-])C12CCCC1N(C1=[NH+]C=CC(N3CCOCC3)=N1)CC2	REAL300011261664	0	45	0.0	-44.50	335.32	6.31	-38.19
O=C([O-])C12CCCC1N(C1=CC(N3CCOCC3)=[NH+]C=N1)CC2	REAL300011261665	0	45	0.0	-55.16	333.35	6.24	-48.92
O=C([O-])C12CCCC1N(C1=CC(N3CCOCC3)=NC=[NH+]1)CC2	REAL300011261665	1	45	0.0	-41.98	336.20	6.70	-35.28
CCOC1=CC2=[NH+]C=CC(N3CCC4(C(=O)[O-])CCCC34)=C2C=C1OCC	REAL300011261666	0	53	0.0	-52.81	394.06	9.10	-43.71
CCCC1=CC2=C(N3CCC4(C(=O)[O-])CCCC34)C=C[NH+]=C2C=C1	REAL300011261674	0	48	0.0	-52.21	363.50	10.75	-41.46
CCC1=CC2=C(N3CCC4(C(=O)[O-])CCCC34)C=C[NH+]=C2C=C1	REAL300011261676	0	45	0.0	-52.16	342.00	9.97	-42.19
O=C([O-])C12CCCC1N(C1=CC=[NH+]C3=CC=C(OC4=CC=CC=C4)C=C31)CC2	REAL300011261677	0	50	0.0	-54.11	388.83	11.44	-42.67
COC1=CC2=[NH+]C=CC(N3CCC4(C(=O)[O-])CCCC34)=C2C=C1OC	REAL300011261678	0	47	0.0	-53.16	350.35	7.26	-45.90
CC(C)OC1=CC2=C(N3CCC4(C(=O)[O-])CCCC34)C=C[NH+]=C2C=C1	REAL300011261679	0	49	0.0	-54.55	368.30	9.41	-45.14
CCC1=CC(N2CCC3(C(=O)[O-])CCCC23)=NC(C2=CC=NC=C2)=[NH+]1	REAL300011261681	1	47	0.0	-58.22	364.77	9.73	-48.49
O=C([O-])C12CCCC1N(C1=CC(N3CCCC3)=[NH+]C=N1)CC2	REAL300011261685	0	44	0.0	-62.40	320.00	7.54	-54.86
O=C([O-])C12CCCC1N(C1=CC(N3CCCC3)=NC=[NH+]1)CC2	REAL300011261685	1	44	0.0	-41.26	328.38	8.40	-32.86
O=C([O-])C12CCCC1N(C1=CC(N3CCCCC3)=[NH+]C=N1)CC2	REAL300011261686	0	47	0.0	-54.82	342.27	8.69	-46.13
O=C([O-])C12CCCC1N(C1=CC(N3CCCCC3)=NC=[NH+]1)CC2	REAL300011261686	1	47	0.0	-41.07	345.24	9.15	-31.92
O=C([O-])C12CCCC1N(C1=CC(N3CCCC(CO)C3)=[NH+]C=N1)CC2	REAL300011261687	0	51	0.0	-57.50	375.20	6.64	-50.86
O=C([O-])C12CCCC1N(C1=CC(N3CCCC(CO)C3)=NC=[NH+]1)CC2	REAL300011261687	1	51	0.0	-54.02	376.32	6.12	-47.90
O=C([O-])C12CCCC1N(C1=[NH+]C=CC(N3CCCC3)=N1)CC2	REAL300011261691	0	44	0.0	-41.29	328.49	8.25	-33.04
O=C([O-])C12CCCC1N(C1=CC(C(F)(F)F)=CC=[NH+]1)CC2	REAL300011261699	1	36	0.0	-50.01	288.26	7.87	-42.14
O=C([O-])C12CCCC1N(C1=CC(NCC3CC3)=[NH+]C=N1)CC2	REAL300011261712	0	44	0.0	-57.07	337.48	9.09	-47.98
O=C([O-])C12CCCC1N(C1=CC(NCC3CC3)=NC=[NH+]1)CC2	REAL300011261712	1	44	0.0	-45.87	332.78	8.77	-37.10
O=C([O-])C12CCCC1N(C1=CC(N3CCSCC3)=[NH+]C=N1)CC2	REAL300011261717	0	45	0.0	-56.24	346.32	8.37	-47.87
O=C([O-])C12CCCC1N(C1=CC(N3CCSCC3)=NC=[NH+]1)CC2	REAL300011261717	1	45	0.0	-42.93	344.49	9.04	-33.89
O=C([O-])C12CCCC1N(C1=CC=[NH+]C(N3CCCCC3)=N1)CC2	REAL300011261722	0	47	0.0	-50.07	343.49	9.12	-40.95
CC(C)(C)C1=CC(N2CCC3(C(=O)[O-])CCCC23)=NC(C(C)(C)C)=[NH+]1	REAL300011261723	1	56	0.0	-51.19	406.49	11.28	-39.91
O=C([O-])C12CCCC1N(C1=[NH+]C=NC3=C1C1=C(C=CC=C1)N3)CC2	REAL300011261727	1	42	0.0	-59.94	315.42	8.95	-50.99
CC(O)CNC1=CC(N2CCC3(C(=O)[O-])CCCC23)=NC=[NH+]1	REAL300011261746	0	44	0.0	-58.08	338.10	5.03	-53.05
CC(O)CNC1=CC(N2CCC3(C(=O)[O-])CCCC23)=[NH+]C=N1	REAL300011261746	1	44	0.0	-46.33	333.61	4.64	-41.69
O=C([O-])C12CCCC1N(C1=CC(N3CCCCC3CO)=NC=[NH+]1)CC2	REAL300011261748	0	51	0.0	-55.21	369.29	4.72	-50.49
O=C([O-])C12CCCC1N(C1=CC(N3CCCCC3CO)=[NH+]C=N1)CC2	REAL300011261748	1	51	0.0	-53.79	376.17	6.19	-47.60
CCCCNC1=CC(N2CCC3(C(=O)[O-])CCCC23)=NC(N)=[NH+]1	REAL300011261764	0	48	0.0	-54.28	364.34	8.48	-45.80
CCCCNC1=CC(N2CCC3(C(=O)[O-])CCCC23)=[NH+]C(N)=N1	REAL300011261764	1	48	0.0	-44.92	363.42	7.81	-37.11
CC(C)C1=[NH+]C(N(C)C)=NC(N2CCC3(C(=O)[O-])CCCC23)=N1	REAL300011261767	1	48	0.0	-49.06	360.29	12.14	-36.92
NC1=[NH+]C(N2CCC3(C(=O)[O-])CCCC23)=CC(N2C=CC=N2)=N1	REAL300011261768	0	41	0.0	-38.33	325.04	8.37	-29.96
CC(C)NC1=[NH+]C(NCCO)=NC(N2CCC3(C(=O)[O-])CCCC23)=N1	REAL300011261776	0	51	0.0	-51.95	389.12	8.54	-43.41
CC(C)NC1=NC(NCCO)=[NH+]C(N2CCC3(C(=O)[O-])CCCC23)=N1	REAL300011261776	1	51	0.0	-33.36	391.14	8.10	-25.26
CC(C)NC1=NC(NCCO)=NC(N2CCC3(C(=O)[O-])CCCC23)=[NH+]1	REAL300011261776	1	51	0.0	-47.37	390.89	8.64	-38.73
CC(O)C1CCN(C2=CC(N3CCC4(C(=O)[O-])CCCC34)=NC=[NH+]2)C1	REAL300011261779	0	51	0.0	-58.38	375.44	5.74	-52.64
CC(O)C1CCN(C2=CC(N3CCC4(C(=O)[O-])CCCC34)=[NH+]C=N2)C1	REAL300011261779	1	51	0.0	-43.65	378.73	6.41	-37.24
CC(C)C1OCCCC1NC1=CC(N2CCC3(C(=O)[O-])CCCC23)=NC=[NH+]1	REAL300011261780	0	57	0.0	-55.87	413.82	10.26	-45.61
CC(C)C1OCCCC1NC1=CC(N2CCC3(C(=O)[O-])CCCC23)=[NH+]C=N1	REAL300011261780	1	57	0.0	-53.22	407.75	9.02	-44.20
O=C([O-])C12CCCC1N(C1=CC(C(F)(F)F)=CC=[NH+]1)CC2	REAL300011261804	1	36	0.0	-50.01	288.26	7.87	-42.14
O=C([O-])C12CCCC1N(C1=[NH+]C=CC(N3CC4=CC=CC=C4C3)=N1)CC2	REAL300011261819	0	48	0.0	-57.10	359.74	9.10	-48.00
O=C([O-])C12CCCC1N(C1=C3C=CNC3=NC(C3CC3)=[NH+]1)CC2	REAL300011261822	0	43	0.0	-41.49	324.36	9.24	-32.25
CC1(O)CCN(C2=CC(N3CCC4(C(=O)[O-])CCCC34)=NC=[NH+]2)CC1	REAL300011261825	0	51	0.0	-52.87	372.08	6.09	-46.78
CC1(O)CCN(C2=CC(N3CCC4(C(=O)[O-])CCCC34)=[NH+]C=N2)CC1	REAL300011261825	1	51	0.0	-40.94	374.97	6.57	-34.37
CC1=CC2=C(N3CCC(CO)(C4CCOCC4)C3)C(C(=O)[O-])=C[NH+]=C2C(C)=C1	REAL300011261838	0	56	0.0	-39.14	391.08	7.33	-31.81
CC1=CC2=C(N3CCC(CO)(C4CCOCC4)C3)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011261839	0	53	0.0	-43.74	369.37	6.54	-37.20
CC1=C(C)C2=[NH+]C=C(C(=O)[O-])C(N3CCC(CO)(C4CCOCC4)C3)=C2C=C1	REAL300011261840	0	56	0.0	-41.57	387.47	7.06	-34.51
COC1=CC2=C(N3CCC(CO)(C4CCOCC4)C3)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011261841	0	54	0.0	-43.38	380.00	5.25	-38.13
CC1=CC=CC2=C(N3CCC(CO)(C4CCOCC4)C3)C(C(=O)[O-])=C[NH+]=C12	REAL300011261842	0	53	0.0	-42.43	370.55	6.50	-35.93
O=C([O-])C1=C[NH+]=CC=C1N1CCC(CO)(C2CCOCC2)C1	REAL300011261845	0	44	0.0	-50.18	320.56	3.67	-46.51
O=C([O-])C1=CC=C[NH+]=C1N1CCC(CO)(C2CCOCC2)C1	REAL300011261857	0	44	0.0	-48.00	320.75	4.68	-43.32
O=C([O-])C1=CC=C(N2CCC(CO)(C3CCOCC3)C2)[NH+]=C1	REAL300011261858	1	44	0.0	-38.29	322.13	3.02	-35.27
O=C([O-])C1=CC=[NH+]C(N2CCC(CO)(C3CCOCC3)C2)=C1	REAL300011261860	0	44	0.0	-45.95	321.90	3.39	-42.56
CC1=[NH+]C(N2CCC(CO)(C3CCOCC3)C2)=CC=C1C(=O)[O-]	REAL300011261862	0	47	0.0	-36.30	338.41	3.61	-32.69
O=C([O-])C1=C[NH+]=CC=C1N1CCC(CO)(C2CCOCC2)C1	REAL300011261869	0	44	0.0	-50.18	320.56	3.67	-46.51
O=C([O-])C1=CC(N2CCC(CO)(C3CCOCC3)C2)=CC=[NH+]1	REAL300011261870	0	44	0.0	-34.75	323.82	2.45	-32.30
CC1=CC=C(C(=O)[O-])C(N2CCC(CO)(C3CCOCC3)C2)=[NH+]1	REAL300011261871	0	47	0.0	-43.76	342.72	5.00	-38.76
CC1=C(C(=O)[O-])SC2=NC(C[NH+](C)C)=NC(N3C[C@@H](CO)[C@H](C4CC4)C3)=C12	REAL300011261875	1	53	0.0	-66.59	418.76	8.39	-58.20
CC1=CC2=C(N3C[C@@H](CO)[C@H](C4CC4)C3)C(C(=O)[O-])=C[NH+]=C2C(C)=C1	REAL300011261879	0	49	0.0	-40.20	365.86	7.62	-32.58
CC1=CC2=C(N3C[C@@H](CO)[C@H](C4CC4)C3)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011261880	0	46	0.0	-46.18	345.11	6.78	-39.40
CC1=C(C)C2=[NH+]C=C(C(=O)[O-])C(N3C[C@@H](CO)[C@H](C4CC4)C3)=C2C=C1	REAL300011261881	0	49	0.0	-40.00	361.43	7.50	-32.50
COC1=CC2=C(N3C[C@@H](CO)[C@H](C4CC4)C3)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011261882	0	47	0.0	-46.39	353.22	5.42	-40.97
CC1=CC=CC2=C(N3C[C@@H](CO)[C@H](C4CC4)C3)C(C(=O)[O-])=C[NH+]=C12	REAL300011261883	0	46	0.0	-41.06	344.50	6.95	-34.11
O=C([O-])C1=C(N2C[C@@H](CO)[C@H](C3CC3)C2)C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300011261884	0	46	0.0	-40.54	352.65	4.85	-35.69
CC1=CC2=C(NCC3(C4=CC=CC=C4)NC(=O)NC3=O)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011261901	0	47	0.0	-46.59	387.83	6.20	-40.39
CC1=CC=CC2=C(NCC3(C4=CC=CC=C4)NC(=O)NC3=O)C(C(=O)[O-])=C[NH+]=C12	REAL300011261902	0	47	0.0	-45.39	384.21	6.29	-39.10
O=C([O-])C1=C[NH+]=CC=C1NCC1(C2=CC=CC=C2)NC(=O)NC1=O	REAL300011261906	0	38	0.0	-53.46	318.94	2.93	-50.53
O=C([O-])C1=CC=[NH+]C(NCC2(C3=CC=CC=C3)NC(=O)NC2=O)=C1	REAL300011261921	1	38	0.0	-48.31	323.57	3.47	-44.84
CC1=[NH+]C(NCC2(C3=CC=CC=C3)NC(=O)NC2=O)=CC=C1C(=O)[O-]	REAL300011261923	1	41	0.0	-45.51	339.39	4.02	-41.49
O=C([O-])C1=C[NH+]=CC=C1NCC1(C2=CC=CC=C2)NC(=O)NC1=O	REAL300011261930	0	38	0.0	-53.46	318.94	2.93	-50.53
O=C([O-])C1=CC(NCC2(C3=CC=CC=C3)NC(=O)NC2=O)=CC=[NH+]1	REAL300011261931	0	38	0.0	-45.18	323.63	2.61	-42.57
CC1=CC=C(C(=O)[O-])C(NCC2(C3=CC=CC=C3)NC(=O)NC2=O)=[NH+]1	REAL300011261932	1	41	0.0	-50.08	340.02	4.55	-45.53
CC1=CC2=C(NCC3=CNN=C3C3=CC=CC(F)=C3)C(C(=O)[O-])=C[NH+]=C2C(C)=C1	REAL300011261939	0	48	0.0	-29.85	384.02	9.59	-20.26
CC1=CC2=C(NCC3=CNN=C3C3=CC=CC(F)=C3)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011261940	0	45	0.0	-34.92	365.40	8.87	-26.05
CC1=C(C)C2=[NH+]C=C(C(=O)[O-])C(NCC3=CNN=C3C3=CC=CC(F)=C3)=C2C=C1	REAL300011261941	0	48	0.0	-39.68	384.39	9.56	-30.12
COC1=CC2=C(NCC3=CNN=C3C3=CC=CC(F)=C3)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011261942	0	46	0.0	-34.36	370.62	7.71	-26.65
CC1=CC=CC2=C(NCC3=CNN=C3C3=CC=CC(F)=C3)C(C(=O)[O-])=C[NH+]=C12	REAL300011261943	0	45	0.0	-40.51	367.54	8.97	-31.54
O=C([O-])C1=C[NH+]=CC=C1NCC1=CNN=C1C1=CC=CC(F)=C1	REAL300011261947	0	36	0.0	-49.12	306.89	7.16	-41.96
O=C([O-])C1=CC=[NH+]C(NCC2=CNN=C2C2=CC=CC(F)=C2)=C1	REAL300011261962	1	36	0.0	-49.34	311.88	7.81	-41.53
CC1=[NH+]C(NCC2=CNN=C2C2=CC=CC(F)=C2)=CC=C1C(=O)[O-]	REAL300011261964	1	39	0.0	-44.52	327.36	8.27	-36.25
O=C([O-])C1=C[NH+]=CC=C1NCC1=CNN=C1C1=CC=CC(F)=C1	REAL300011261971	0	36	0.0	-49.12	306.89	7.16	-41.96
O=C([O-])C1=CC(NCC2=CNN=C2C2=CC=CC(F)=C2)=CC=[NH+]1	REAL300011261972	0	36	0.0	-41.11	311.88	6.88	-34.23
CC1=CC=C(C(=O)[O-])C(NCC2=CNN=C2C2=CC=CC(F)=C2)=[NH+]1	REAL300011261973	1	39	0.0	-46.15	327.94	8.80	-37.35
CCO[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1CNC(=O)C(=O)[O-]	REAL300011487516	0	44	0.0	-62.22	356.69	7.25	-54.97
CCO[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1CNC(=O)C(=O)[O-]	REAL300011487516	1	44	0.0	-60.47	356.21	7.19	-53.28
O=C([O-])C(=O)NC1=CC=C(SCC[NH+]2CCCCC2)C=C1	REAL300011487528	0	41	0.0	-71.90	334.12	9.13	-62.77
C[NH+]1CCN(CCCOC2=CC=C(NC(=O)C(=O)[O-])C=C2)CC1	REAL300011487545	0	46	0.0	-70.33	362.18	5.81	-64.52
CN1CC[NH+](CCCOC2=CC=C(NC(=O)C(=O)[O-])C=C2)CC1	REAL300011487545	1	46	0.0	-72.32	361.79	5.70	-66.62
CCCCCCOC1=CC=C(C[N@@H+]2CCCC(CC)(C(=O)[O-])C2)C=C1OC	REAL300011487549	0	62	0.0	-51.35	450.76	13.03	-38.32
CCCCCCOC1=CC=C(C[N@H+]2CCCC(CC)(C(=O)[O-])C2)C=C1OC	REAL300011487549	1	62	0.0	-52.90	452.49	13.08	-39.82
CCOC1=CC(C[N@@H+]2CCCC(CC)(C(=O)[O-])C2)=CC=C1OCC1=CC=CC=C1	REAL300011487550	0	60	0.0	-53.43	446.52	13.85	-39.58
CCOC1=CC(C[N@H+]2CCCC(CC)(C(=O)[O-])C2)=CC=C1OCC1=CC=CC=C1	REAL300011487550	1	60	0.0	-54.56	448.25	13.91	-40.65
CCCCOC1=CC=C(C[N@@H+]2CCCC(CC)(C(=O)[O-])C2)C=C1OCC	REAL300011487551	0	59	0.0	-47.10	432.12	12.41	-34.69
CCCCOC1=CC=C(C[N@H+]2CCCC(CC)(C(=O)[O-])C2)C=C1OCC	REAL300011487551	1	59	0.0	-52.90	431.34	12.44	-40.46
CCC1(C(=O)[O-])CCC[N@H+](CC2=CC=C(OCC3=CC=C(C)C=C3)C=C2)C1	REAL300011487552	0	56	0.0	-51.68	418.77	13.72	-37.96
CCC1(C(=O)[O-])CCC[N@@H+](CC2=CC=C(OCC3=CC=C(C)C=C3)C=C2)C1	REAL300011487552	1	56	0.0	-50.23	416.84	13.72	-36.51
CCC1(C(=O)[O-])CCC[N@H+](CC2=CC(Br)=CC=C2OC(F)F)C1	REAL300011487553	0	43	0.0	-48.93	346.18	10.12	-38.81
CCC1(C(=O)[O-])CCC[N@@H+](CC2=CC(Br)=CC=C2OC(F)F)C1	REAL300011487553	1	43	0.0	-42.86	341.65	10.27	-32.59
CCNC(=O)COC1=CC=C(C[N@@H+]2CCCC(CC)(C(=O)[O-])C2)C=C1OC	REAL300011487554	0	57	0.0	-53.98	427.42	9.24	-44.74
CCNC(=O)COC1=CC=C(C[N@H+]2CCCC(CC)(C(=O)[O-])C2)C=C1OC	REAL300011487554	1	57	0.0	-64.05	426.64	9.26	-54.79
CCCOC1=C(Cl)C=C(C[N@@H+]2CCCC(CC)(C(=O)[O-])C2)C=C1OCC	REAL300011487555	0	56	0.0	-46.43	430.77	12.34	-34.09
CCCOC1=C(Cl)C=C(C[N@H+]2CCCC(CC)(C(=O)[O-])C2)C=C1OCC	REAL300011487555	1	56	0.0	-53.69	429.81	12.33	-41.36
CCC1(C(=O)[O-])CCC[N@H+](CC2=CC=CC=C2OCC(=O)N2CCCC2)C1	REAL300011487556	0	57	0.0	-54.19	420.38	12.00	-42.19
CCC1(C(=O)[O-])CCC[N@@H+](CC2=CC=CC=C2OCC(=O)N2CCCC2)C1	REAL300011487556	1	57	0.0	-36.36	416.02	12.01	-24.35
CCC1(C(=O)[O-])CCC[N@H+](CC2=CC=C(OCC3=CC=CS3)C(OC)=C2)C1	REAL300011487557	0	54	0.0	-54.66	416.64	12.06	-42.60
CCC1(C(=O)[O-])CCC[N@@H+](CC2=CC=C(OCC3=CC=CS3)C(OC)=C2)C1	REAL300011487557	1	54	0.0	-53.08	414.90	12.01	-41.07
CCCCCCCCOC1=CC=C(C[N@@H+]2CCCC(CC)(C(=O)[O-])C2)C=C1	REAL300011487558	0	64	0.0	-48.45	464.51	14.69	-33.76
CCCCCCCCOC1=CC=C(C[N@H+]2CCCC(CC)(C(=O)[O-])C2)C=C1	REAL300011487558	1	64	0.0	-50.00	466.49	14.70	-35.30
CCC1(C(=O)[O-])CCC[N@H+](CC2=C3C=CC=CC3=CC3=CC=CC=C32)C1	REAL300011487559	0	51	0.0	-43.11	362.94	13.67	-29.44
CCC1(C(=O)[O-])CCC[N@@H+](CC2=C3C=CC=CC3=CC3=CC=CC=C32)C1	REAL300011487559	1	51	0.0	-41.95	367.01	13.76	-28.19
CCN(CC1=CC=CC=C1)C1=CC=C(C[N@@H+]2CCCC(CC)(C(=O)[O-])C2)C=C1	REAL300011487560	0	60	0.0	-46.92	434.22	14.88	-32.04
CCN(CC1=CC=CC=C1)C1=CC=C(C[N@H+]2CCCC(CC)(C(=O)[O-])C2)C=C1	REAL300011487560	1	60	0.0	-45.67	432.63	14.82	-30.85
CCC1(C(=O)[O-])CCC[N@H+](CC2=C3C=CC=CC3=C(Cl)C3=CC=CC=C32)C1	REAL300011487561	0	51	0.0	-41.73	375.62	14.17	-27.56
CCC1(C(=O)[O-])CCC[N@@H+](CC2=C3C=CC=CC3=C(Cl)C3=CC=CC=C32)C1	REAL300011487561	1	51	0.0	-44.97	378.90	14.09	-30.88
CCC1(C(=O)[O-])CCC[N@H+](CC2=C(Cl)C=CC=C2OC2=CC=CC=C2)C1	REAL300011487562	0	50	0.0	-41.97	384.59	13.08	-28.89
CCC1(C(=O)[O-])CCC[N@@H+](CC2=C(Cl)C=CC=C2OC2=CC=CC=C2)C1	REAL300011487562	1	50	0.0	-40.95	382.80	13.01	-27.94
CCC1(C(=O)[O-])CCC[N@H+](CC2=CC=C(OCC3=CC=CC=C3)C(OC)=C2)C1	REAL300011487563	0	57	0.0	-54.70	426.40	12.99	-41.71
CCC1(C(=O)[O-])CCC[N@@H+](CC2=CC=C(OCC3=CC=CC=C3)C(OC)=C2)C1	REAL300011487563	1	57	0.0	-47.02	427.18	12.97	-34.05
CCC1(C(=O)[O-])CCC[N@H+](CC2=C(Cl)N(C3=CC(C)=CC=C3C)N=C2C)C1	REAL300011487564	0	55	0.0	-48.40	417.62	13.24	-35.16
CCC1(C(=O)[O-])CCC[N@@H+](CC2=C(Cl)N(C3=CC(C)=CC=C3C)N=C2C)C1	REAL300011487564	1	55	0.0	-46.04	418.00	13.24	-32.80
CCC1(C(=O)[O-])CCC[N@H+](CC2=CN(C3=CC=CC=C3)N=C2C2=CC=CS2)C1	REAL300011487565	0	53	0.0	-48.40	409.94	13.71	-34.69
CCC1(C(=O)[O-])CCC[N@@H+](CC2=CN(C3=CC=CC=C3)N=C2C2=CC=CS2)C1	REAL300011487565	1	53	0.0	-48.89	414.63	13.64	-35.25
CCC1(C(=O)[O-])CCC[N@H+](CC2=CN(C3=CC=CC=C3)N=C2C2=CC=CC=C2)C1	REAL300011487566	0	56	0.0	-50.19	421.64	14.37	-35.82
CCC1(C(=O)[O-])CCC[N@@H+](CC2=CN(C3=CC=CC=C3)N=C2C2=CC=CC=C2)C1	REAL300011487566	1	56	0.0	-48.16	419.57	14.32	-33.84
CCC1(C(=O)[O-])CCC[N@H+](CC2=CC=CC(NC(=O)C3=CC=C(OC)C=C3)=C2)C1	REAL300011487567	0	57	0.0	-52.18	427.08	11.14	-41.04
CCC1(C(=O)[O-])CCC[N@@H+](CC2=CC=CC(NC(=O)C3=CC=C(OC)C=C3)=C2)C1	REAL300011487567	1	57	0.0	-41.19	428.14	11.10	-30.09
CCC1(C(=O)[O-])CCC[N@H+](CC2=CN(C3=CC=CC=C3)N=C2C2=CC=CN=C2)C1	REAL300011487568	0	55	0.0	-53.67	417.67	12.69	-40.98
CCC1(C(=O)[O-])CCC[N@@H+](CC2=CN(C3=CC=CC=C3)N=C2C2=CC=CN=C2)C1	REAL300011487568	1	55	0.0	-52.58	418.79	12.63	-39.95
CCC1(C(=O)[O-])CCC[N@H+](CC2=CN(C3=CC=CC=C3)N=C2C2=CC=NC=C2)C1	REAL300011487569	0	55	0.0	-53.31	416.55	12.61	-40.70
CCC1(C(=O)[O-])CCC[N@@H+](CC2=CN(C3=CC=CC=C3)N=C2C2=CC=NC=C2)C1	REAL300011487569	1	55	0.0	-51.48	414.66	12.58	-38.90
CCC1(C(=O)[O-])CCC[N@H+](CC2=C(Cl)N(CC3=CC=CC=C3)N=C2C)C1	REAL300011487570	0	52	0.0	-44.74	399.87	12.06	-32.68
CCC1(C(=O)[O-])CCC[N@@H+](CC2=C(Cl)N(CC3=CC=CC=C3)N=C2C)C1	REAL300011487570	1	52	0.0	-39.63	403.08	12.14	-27.49
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CCC1(C(=O)[O-])CCC[N@H+](CC2=CC(Cl)=CC(Cl)=C2OC)C1	REAL300011487727	0	43	0.0	-43.30	346.79	10.35	-32.95
CCC1(C(=O)[O-])CCC[N@@H+](CC2=CC(Cl)=CC(Cl)=C2OC)C1	REAL300011487727	1	43	0.0	-46.95	347.57	10.34	-36.61
CCC1(C(=O)[O-])CCC[N@H+](CC2=CC=CC(OC(C)C)=C2)C1	REAL300011487728	0	49	0.0	-40.11	352.65	10.71	-29.40
CCC1(C(=O)[O-])CCC[N@@H+](CC2=CC=CC(OC(C)C)=C2)C1	REAL300011487728	1	49	0.0	-40.19	355.96	10.64	-29.55
CCC1(C(=O)[O-])CCC[N@H+](CC2=CC(Br)=CC=C2O)C1	REAL300011487729	0	40	0.0	-48.09	317.85	7.70	-40.39
CCC1(C(=O)[O-])CCC[N@@H+](CC2=CC(Br)=CC=C2O)C1	REAL300011487729	1	40	0.0	-42.91	317.34	7.79	-35.12
CCOC1=CC=CC(C[N@@H+]2CCCC(CC)(C(=O)[O-])C2)=C1O	REAL300011487730	0	47	0.0	-40.11	343.01	8.01	-32.10
CCOC1=CC=CC(C[N@H+]2CCCC(CC)(C(=O)[O-])C2)=C1O	REAL300011487730	1	47	0.0	-48.15	346.36	7.90	-40.25
CCC1(C(=O)[O-])CCC[N@H+](CC=CC2=CC=CC=C2[N+](=O)[O-])C1	REAL300011487731	0	45	0.0	-46.90	341.58	11.84	-35.06
CCC1(C(=O)[O-])CCC[N@@H+](CC=CC2=CC=CC=C2[N+](=O)[O-])C1	REAL300011487731	1	45	0.0	-42.02	344.81	11.81	-30.21
CCC1(C(=O)[O-])CCC[N@H+](CC2=CC(OC)=C(OC)C=C2[N+](=O)[O-])C1	REAL300011487732	0	49	0.0	-52.31	365.26	9.65	-42.66
CCC1(C(=O)[O-])CCC[N@@H+](CC2=CC(OC)=C(OC)C=C2[N+](=O)[O-])C1	REAL300011487732	1	49	0.0	-50.36	362.05	9.64	-40.72
CCC1(C(=O)[O-])CCC[N@H+](CC2=CC=CC(OC(F)F)=C2)C1	REAL300011487733	0	43	0.0	-43.60	322.68	9.44	-34.16
CCC1(C(=O)[O-])CCC[N@@H+](CC2=CC=CC(OC(F)F)=C2)C1	REAL300011487733	1	43	0.0	-44.72	325.93	9.38	-35.34
CCC1(C(=O)[O-])CCC[N@H+](CC2=CC3=C(C=C2[N+](=O)[O-])OCCO3)C1	REAL300011487734	0	47	0.0	-51.46	347.12	9.85	-41.61
CCC1(C(=O)[O-])CCC[N@@H+](CC2=CC3=C(C=C2[N+](=O)[O-])OCCO3)C1	REAL300011487734	1	47	0.0	-55.03	349.70	9.85	-45.18
CCOC1=CC=C([N+](=O)[O-])C=C1C[N@@H+]1CCCC(CC)(C(=O)[O-])C1	REAL300011487735	0	48	0.0	-46.44	360.65	10.97	-35.47
CCOC1=CC=C([N+](=O)[O-])C=C1C[N@H+]1CCCC(CC)(C(=O)[O-])C1	REAL300011487735	1	48	0.0	-52.49	365.10	10.84	-41.65
CCOCC1=CC(C[N@@H+]2CCCC(CC)(C(=O)[O-])C2)=CC=C1OC	REAL300011487736	0	53	0.0	-40.00	390.25	10.02	-29.98
CCOCC1=CC(C[N@H+]2CCCC(CC)(C(=O)[O-])C2)=CC=C1OC	REAL300011487736	1	53	0.0	-49.43	389.43	10.03	-39.40
CCC1(C(=O)[O-])CCC[N@H+](CC2=CC=C(OC)C(OCCC(C)C)=C2)C1	REAL300011487737	0	59	0.0	-52.83	427.05	12.04	-40.79
CCC1(C(=O)[O-])CCC[N@@H+](CC2=CC=C(OC)C(OCCC(C)C)=C2)C1	REAL300011487737	1	59	0.0	-51.62	425.32	11.97	-39.65
CCOC1=C(OC)C=C(C[N@@H+]2CCCC(CC)(C(=O)[O-])C2)C=C1OC	REAL300011487738	0	54	0.0	-52.74	396.30	9.75	-42.99
CCOC1=C(OC)C=C(C[N@H+]2CCCC(CC)(C(=O)[O-])C2)C=C1OC	REAL300011487738	1	54	0.0	-52.82	396.34	9.77	-43.05
CCC1(C(=O)[O-])CCC[N@H+](CC2=CC=C(C3=CC=CC(F)=C3)S2)C1	REAL300011487739	0	46	0.0	-41.61	360.12	12.70	-28.91
CCC1(C(=O)[O-])CCC[N@@H+](CC2=CC=C(C3=CC=CC(F)=C3)S2)C1	REAL300011487739	1	46	0.0	-47.83	361.51	12.70	-35.13
CCOC1=CC=C(C[N@@H+]2CCCC(CC)(C(=O)[O-])C2)C(O)=C1	REAL300011487740	0	47	0.0	-41.66	343.26	7.42	-34.24
CCOC1=CC=C(C[N@H+]2CCCC(CC)(C(=O)[O-])C2)C(O)=C1	REAL300011487740	1	47	0.0	-52.02	347.30	7.38	-44.64
CCC1(C(=O)[O-])CCC[N@H+](CC2=C(Cl)C=CC3=CC=CN=C32)C1	REAL300011487742	0	44	0.0	-42.45	334.60	10.55	-31.90
CCC1(C(=O)[O-])CCC[N@@H+](CC2=C(Cl)C=CC3=CC=CN=C32)C1	REAL300011487742	1	44	0.0	-37.46	335.54	10.55	-26.91
CCC1(C(=O)[O-])CCC[N@H+](CC2=C(Cl)N(C)N=C2C(F)(F)F)C1	REAL300011487743	1	42	0.0	-39.91	334.87	8.81	-31.10
CCC1(C(=O)[O-])CCC[N@@H+](CC2=C(Cl)N(C)N=C2C(F)(F)F)C1	REAL300011487743	1	42	0.0	-43.20	340.32	8.80	-34.40
CCC1(C(=O)[O-])CCC[N@H+](CC2=CC=C(SC(F)F)C=C2)C1	REAL300011487744	0	43	0.0	-51.32	335.95	11.03	-40.29
CCC1(C(=O)[O-])CCC[N@@H+](CC2=CC=C(SC(F)F)C=C2)C1	REAL300011487744	1	43	0.0	-49.97	333.98	11.02	-38.95
CCC1(C(=O)[O-])CCC[N@H+](CC2=C(C)C=C(OC)N=C2C)C1	REAL300011487745	0	48	0.0	-49.78	340.74	7.27	-42.51
CCC1(C(=O)[O-])CCC[N@@H+](CC2=C(C)C=C(OC)N=C2C)C1	REAL300011487745	1	48	0.0	-48.60	338.96	7.19	-41.41
CCC1(C(=O)[O-])CCC[N@H+](CC2=CC=C(OCC(=O)OC)C=C2)C1	REAL300011487746	0	49	0.0	-57.63	372.00	10.69	-46.94
CCC1(C(=O)[O-])CCC[N@@H+](CC2=CC=C(OCC(=O)OC)C=C2)C1	REAL300011487746	1	49	0.0	-55.51	370.02	10.68	-44.83
CCC1(C(=O)[O-])CCC[N@H+](CC2=CN(C3=CC=C(F)C(Cl)=C3)N=N2)C1	REAL300011487748	0	45	0.0	-53.05	362.54	10.39	-42.66
CCC1(C(=O)[O-])CCC[N@@H+](CC2=CN(C3=CC=C(F)C(Cl)=C3)N=N2)C1	REAL300011487748	1	45	0.0	-58.54	360.81	10.11	-48.43
CCC1(C(=O)[O-])CCC[N@H+](CC2=CC(Cl)=CC3=C2OCC3)C1	REAL300011487749	0	44	0.0	-47.02	339.49	10.22	-36.80
CCC1(C(=O)[O-])CCC[N@@H+](CC2=CC(Cl)=CC3=C2OCC3)C1	REAL300011487749	1	44	0.0	-38.25	335.62	10.32	-27.93
CCC1(C(=O)[O-])CCC[N@H+](CC2=CC=C([N+](=O)[O-])C=C2Cl)C1	REAL300011487750	0	41	0.0	-56.06	326.65	10.90	-45.16
CCC1(C(=O)[O-])CCC[N@@H+](CC2=CC=C([N+](=O)[O-])C=C2Cl)C1	REAL300011487750	1	41	0.0	-55.03	328.60	10.98	-44.05
CCC1(C(=O)[O-])CCC[N@H+](CC2=CC=C(OC)C(OCC(C)C)=C2)C1	REAL300011487751	0	56	0.0	-52.70	408.09	11.42	-41.28
CCC1(C(=O)[O-])CCC[N@@H+](CC2=CC=C(OC)C(OCC(C)C)=C2)C1	REAL300011487751	1	56	0.0	-46.78	408.86	11.38	-35.40
CCOC1=CC=CC(C[N@@H+]2CCCC(CC)(C(=O)[O-])C2)=C1OC	REAL300011487752	0	50	0.0	-37.99	362.92	10.09	-27.90
CCOC1=CC=CC(C[N@H+]2CCCC(CC)(C(=O)[O-])C2)=C1OC	REAL300011487752	1	50	0.0	-45.50	365.11	10.10	-35.40
CCCOC1=CC(C[N@@H+]2CCCC(CC)(C(=O)[O-])C2)=CC=C1OC	REAL300011487753	0	53	0.0	-47.13	388.76	10.70	-36.43
CCCOC1=CC(C[N@H+]2CCCC(CC)(C(=O)[O-])C2)=CC=C1OC	REAL300011487753	1	53	0.0	-53.00	387.99	10.74	-42.26
CCOC1=CC(C[N@@H+]2CCCC(CC)(C(=O)[O-])C2)=CC(Cl)=C1OC	REAL300011487754	0	50	0.0	-46.45	387.42	10.58	-35.87
CCOC1=CC(C[N@H+]2CCCC(CC)(C(=O)[O-])C2)=CC(Cl)=C1OC	REAL300011487754	1	50	0.0	-54.12	386.45	10.57	-43.55
C=CCOC1=CC=CC(C[N@H+]2CCCC(CC)(C(=O)[O-])C2)=C1	REAL300011487755	0	47	0.0	-49.34	350.16	10.63	-38.71
C=CCOC1=CC=CC(C[N@@H+]2CCCC(CC)(C(=O)[O-])C2)=C1	REAL300011487755	1	47	0.0	-40.49	350.93	10.61	-29.88
CCC1(C(=O)[O-])CCC[N@H+](CC2=CC=CC(OC)=C2OC(C)C)C1	REAL300011487756	0	53	0.0	-46.24	382.64	10.79	-35.45
CCC1(C(=O)[O-])CCC[N@@H+](CC2=CC=CC(OC)=C2OC(C)C)C1	REAL300011487756	1	53	0.0	-37.45	377.77	10.84	-26.61
CCOC1=C(Cl)C=C(C[N@@H+]2CCCC(CC)(C(=O)[O-])C2)C=C1OC	REAL300011487757	0	50	0.0	-46.58	387.42	10.61	-35.97
CCOC1=C(Cl)C=C(C[N@H+]2CCCC(CC)(C(=O)[O-])C2)C=C1OC	REAL300011487757	1	50	0.0	-54.70	386.45	10.61	-44.09
CCCOC1=C(C[N@@H+]2CCCC(CC)(C(=O)[O-])C2)C=CC=C1OCC	REAL300011487758	0	56	0.0	-37.43	406.31	11.83	-25.60
CCCOC1=C(C[N@H+]2CCCC(CC)(C(=O)[O-])C2)C=CC=C1OCC	REAL300011487758	1	56	0.0	-46.57	409.65	11.72	-34.85
CCCCOC1=CC(C[N@@H+]2CCCC(CC)(C(=O)[O-])C2)=CC=C1OC	REAL300011487759	0	56	0.0	-46.97	410.26	11.48	-35.49
CCCCOC1=CC(C[N@H+]2CCCC(CC)(C(=O)[O-])C2)=CC=C1OC	REAL300011487759	1	56	0.0	-52.95	409.48	11.52	-41.43
CCC1(C(=O)[O-])CCC[N@H+](CC2=CC=C(OC)C(OC(F)F)=C2)C1	REAL300011487760	0	47	0.0	-52.71	354.39	9.31	-43.40
CCC1(C(=O)[O-])CCC[N@@H+](CC2=CC=C(OC)C(OC(F)F)=C2)C1	REAL300011487760	1	47	0.0	-49.97	355.17	9.27	-40.70
CCOC1=CC(C[N@@H+]2CCCC(CC)(C(=O)[O-])C2)=CC=C1OC(F)F	REAL300011487761	0	50	0.0	-46.86	377.02	10.18	-36.68
CCOC1=CC(C[N@H+]2CCCC(CC)(C(=O)[O-])C2)=CC=C1OC(F)F	REAL300011487761	1	50	0.0	-53.86	376.24	10.22	-43.64
CCC1(C(=O)[O-])CCC[N@H+](CC2=CC(C)=C(OC(F)F)C(C)=C2)C1	REAL300011487762	0	49	0.0	-48.98	361.13	10.75	-38.23
CCC1(C(=O)[O-])CCC[N@@H+](CC2=CC(C)=C(OC(F)F)C(C)=C2)C1	REAL300011487762	1	49	0.0	-44.97	364.00	10.80	-34.17
CCOC1=CC2=C(C=C1C[N@@H+]1CCCC(CC)(C(=O)[O-])C1)OC(C)C2	REAL300011487763	0	54	0.0	-38.97	389.18	10.87	-28.10
CCOC1=CC2=C(C=C1C[N@H+]1CCCC(CC)(C(=O)[O-])C1)OC(C)C2	REAL300011487763	1	54	0.0	-45.49	393.68	10.75	-34.74
CCC1(C(=O)[O-])CCC[N@H+](CC2=CC(OC)=C3OCCOC3=C2)C1	REAL300011487764	0	49	0.0	-54.08	359.58	8.83	-45.25
CCC1(C(=O)[O-])CCC[N@@H+](CC2=CC(OC)=C3OCCOC3=C2)C1	REAL300011487764	1	49	0.0	-47.23	360.55	8.84	-38.39
CCOC1=CC=CC(C[N@@H+]2CCCC(CC)(C(=O)[O-])C2)=C1OC(F)F	REAL300011487765	0	50	0.0	-38.66	371.04	10.39	-28.27
CCOC1=CC=CC(C[N@H+]2CCCC(CC)(C(=O)[O-])C2)=C1OC(F)F	REAL300011487765	1	50	0.0	-48.22	374.57	10.27	-37.95
CCC1(C(=O)[O-])CCC[N@H+](CC2=CC(OC)=C3OCOC3=C2)C1	REAL300011487766	0	46	0.0	-56.46	341.47	7.76	-48.70
CCC1(C(=O)[O-])CCC[N@@H+](CC2=CC(OC)=C3OCOC3=C2)C1	REAL300011487766	1	46	0.0	-55.47	339.75	7.69	-47.78
CCCOC1=C(Cl)C=C(C[N@@H+]2CCCC(CC)(C(=O)[O-])C2)C=C1OC	REAL300011487767	0	53	0.0	-51.25	404.57	11.30	-39.95
CCCOC1=C(Cl)C=C(C[N@H+]2CCCC(CC)(C(=O)[O-])C2)C=C1OC	REAL300011487767	1	53	0.0	-54.57	407.95	11.41	-43.16
CCC1(C(=O)[O-])CCC[N@H+](CC2=CC=C(N3C=CN=C3)C=C2)C1	REAL300011487768	0	46	0.0	-48.84	341.60	12.19	-36.65
CCC1(C(=O)[O-])CCC[N@@H+](CC2=CC=C(N3C=CN=C3)C=C2)C1	REAL300011487768	1	46	0.0	-45.94	339.34	12.24	-33.70
CCC1(C(=O)[O-])CCC[N@H+](CC2=CC(Cl)=C3OCCOC3=C2)C1	REAL300011487769	0	45	0.0	-53.24	346.37	9.50	-43.74
CCC1(C(=O)[O-])CCC[N@@H+](CC2=CC(Cl)=C3OCCOC3=C2)C1	REAL300011487769	1	45	0.0	-46.72	347.34	9.51	-37.21
CCN(CC)C1=CC=C(C[N@@H+]2CCCC(CC)(C(=O)[O-])C2)C=C1	REAL300011487770	0	53	0.0	-44.41	377.66	12.00	-32.41
CCN(CC)C1=CC=C(C[N@H+]2CCCC(CC)(C(=O)[O-])C2)C=C1	REAL300011487770	1	53	0.0	-44.44	377.71	12.00	-32.44
CCC1(C(=O)[O-])CCC[N@H+](CC2=CC=C(Br)C=C2)C1	REAL300011487771	0	39	0.0	-48.45	303.88	10.32	-38.13
CCC1(C(=O)[O-])CCC[N@@H+](CC2=CC=C(Br)C=C2)C1	REAL300011487771	1	39	0.0	-50.00	305.46	10.38	-39.62
CCC1(C(=O)[O-])CCC[N@H+](CC2=CC(OC)=C(OC)C(OC)=C2)C1	REAL300011487772	0	51	0.0	-52.87	374.48	8.83	-44.04
CCC1(C(=O)[O-])CCC[N@@H+](CC2=CC(OC)=C(OC)C(OC)=C2)C1	REAL300011487772	1	51	0.0	-53.24	374.45	8.82	-44.42
CCC1(C(=O)[O-])CCC[N@H+](CC2=CC=CC=C2OC(F)F)C1	REAL300011487773	0	43	0.0	-48.53	324.76	9.50	-39.03
CCC1(C(=O)[O-])CCC[N@@H+](CC2=CC=CC=C2OC(F)F)C1	REAL300011487773	1	43	0.0	-40.64	320.21	9.63	-31.01
CCC1(C(=O)[O-])CCC[N@H+](CC2=CC=CC(OC)=C2OC)C1	REAL300011487774	0	47	0.0	-46.98	346.17	9.19	-37.79
CCC1(C(=O)[O-])CCC[N@@H+](CC2=CC=CC(OC)=C2OC)C1	REAL300011487774	1	47	0.0	-43.60	336.95	9.06	-34.54
CCC1(C(=O)[O-])CCC[N@H+](CC2=CC=C(N3CCOCC3)C=C2)C1	REAL300011487775	0	52	0.0	-43.01	369.70	8.64	-34.37
CCC1(C(=O)[O-])CCC[N@@H+](CC2=CC=C(N3CCOCC3)C=C2)C1	REAL300011487775	1	52	0.0	-40.54	367.38	8.69	-31.85
CCC1(C(=O)[O-])CCC[N@H+](CC2=CC=C(OC)C=C2OC)C1	REAL300011487776	0	47	0.0	-41.65	341.97	8.59	-33.06
CCC1(C(=O)[O-])CCC[N@@H+](CC2=CC=C(OC)C=C2OC)C1	REAL300011487776	1	47	0.0	-45.52	337.36	8.61	-36.91
CCC1(C(=O)[O-])CCC[N@H+](CC2=CC=C(N3C=NC=N3)C(C)=C2)C1	REAL300011487777	0	48	0.0	-55.16	356.93	13.24	-41.92
CCC1(C(=O)[O-])CCC[N@@H+](CC2=CC=C(N3C=NC=N3)C(C)=C2)C1	REAL300011487777	1	48	0.0	-48.01	360.97	13.33	-34.68
CCC1(C(=O)[O-])CCC[N@H+](CC2=CC=C(Br)C=C2Cl)C1	REAL300011487778	0	39	0.0	-47.77	319.71	10.86	-36.91
CCC1(C(=O)[O-])CCC[N@@H+](CC2=CC=C(Br)C=C2Cl)C1	REAL300011487778	1	39	0.0	-46.71	321.67	10.92	-35.79
CCC1(C(=O)[O-])CCC[N@H+](CC2=CN(C3=CC=C(Cl)C=C3)N=C2C)C1	REAL300011487779	0	49	0.0	-45.60	380.20	12.20	-33.40
CCC1(C(=O)[O-])CCC[N@@H+](CC2=CN(C3=CC=C(Cl)C=C3)N=C2C)C1	REAL300011487779	1	49	0.0	-48.31	382.13	12.19	-36.12
CCC1(C(=O)[O-])CCC[N@H+](CC2=CC3=CC(C)=C(C)C=C3O2)C1	REAL300011487780	0	48	0.0	-48.83	353.65	11.70	-37.13
CCC1(C(=O)[O-])CCC[N@@H+](CC2=CC3=CC(C)=C(C)C=C3O2)C1	REAL300011487780	1	48	0.0	-48.91	350.91	11.53	-37.38
CCC1(C(=O)[O-])CCC[N@H+](CC2=CC=C(N3C=CN=C3)N=C2)C1	REAL300011487781	0	45	0.0	-60.67	338.93	11.51	-49.16
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CCCOC1=CC=C(C[N@@H+]2CCCC(CC)(C(=O)[O-])C2)C=C1OCC	REAL300011487998	0	56	0.0	-46.97	410.62	11.62	-35.35
CCCOC1=CC=C(C[N@H+]2CCCC(CC)(C(=O)[O-])C2)C=C1OCC	REAL300011487998	1	56	0.0	-52.79	409.84	11.66	-41.13
CCN1C2=C(C=CC=C2)C2=C1C=CC(C[N@@H+]1CCCC(CC)(C(=O)[O-])C1)=C2	REAL300011487999	0	55	0.0	-44.29	408.33	14.53	-29.76
CCN1C2=C(C=CC=C2)C2=C1C=CC(C[N@H+]1CCCC(CC)(C(=O)[O-])C1)=C2	REAL300011487999	1	55	0.0	-51.31	406.26	14.49	-36.82
CCC1(C(=O)[O-])CCC[N@H+](CC2=CC(Br)=C3OCOC3=C2)C1	REAL300011488000	0	42	0.0	-54.70	333.25	9.11	-45.59
CCC1(C(=O)[O-])CCC[N@@H+](CC2=CC(Br)=C3OCOC3=C2)C1	REAL300011488000	1	42	0.0	-48.28	334.03	9.07	-39.21
CC#CCC([NH2+]CC1=CC=CC=C1OC(C)C(=O)OC)C(=O)[O-]	REAL300011836045	0	44	0.0	-29.09	368.31	9.61	-19.48
CC#CCC([NH2+]CC1=CC=CC=C1OCC(=O)OC)C(=O)[O-]	REAL300011836046	0	41	0.0	-28.00	348.34	8.93	-19.07
CC#CCC([NH2+]CC1=CC2=CC(OC)=CC=C2S1)C(=O)[O-]	REAL300011836047	0	38	0.0	-30.84	332.99	8.88	-21.96
CC#CCC([NH2+]CC1=CC=C(C(=O)N(CC)CC)C=C1)C(=O)[O-]	REAL300011836048	0	47	0.0	-32.07	376.16	9.76	-22.31
CC#CCC([NH2+]CC1=CC=C(C(=O)N(C)CC)C=C1)C(=O)[O-]	REAL300011836049	0	44	0.0	-37.97	356.76	8.84	-29.13
CC#CCC([NH2+]CC1=CC=C(N2C=CC(C)=N2)C=C1C)C(=O)[O-]	REAL300011836050	0	44	0.0	-33.08	357.50	10.25	-22.83
CC#CCC([NH2+]CC1=CC=C(C(F)(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300011836051	0	37	0.0	-30.51	337.26	9.94	-20.57
CC#CCC([NH2+]CC1=CC=C(N2C=C(Cl)C=N2)C=C1C)C(=O)[O-]	REAL300011836052	0	41	0.0	-32.25	353.04	10.27	-21.98
CC#CCC([NH2+]CC1=C(Br)C=C(CC)S1)C(=O)[O-]	REAL300011836053	1	34	0.0	-22.96	316.93	9.20	-13.76
CC#CCC([NH2+]CC1=CC=C(N2C=C(Cl)C(C)=N2)C=C1)C(=O)[O-]	REAL300011836054	0	41	0.0	-33.75	360.81	10.27	-23.48
CC#CCC([NH2+]CC1=CC2=C(C=C(C(=O)OC)N2)O1)C(=O)[O-]	REAL300011836055	1	38	0.0	-30.31	334.64	6.85	-23.46
CC#CCC([NH2+]CC(C)(C)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300011836056	0	40	0.0	-30.10	335.41	10.39	-19.71
CC#CCC([NH2+]CC1=CC(Cl)=CC(Br)=C1)C(=O)[O-]	REAL300011836057	0	31	0.0	-28.25	302.76	9.13	-19.12
CC#CCC([NH2+]CC1=CC=CC=C1C1=CC=C(C)C=C1C)C(=O)[O-]	REAL300011836058	0	47	0.0	-26.35	378.25	12.65	-13.70
CC#CCC([NH2+]CC1=CC=C(N2CCN(C(=O)OC(C)(C)C)CC2)O1)C(=O)[O-]	REAL300011836059	1	57	0.0	-34.46	445.65	7.96	-26.50
CC#CCC([NH2+]CC1=CC=C(CNC(=O)OC(C)(C)C)C=C1)C(=O)[O-]	REAL300011836061	0	51	0.0	-31.38	411.79	8.44	-22.94
CC#CCC([NH2+]CC1=CC(C(=O)OC)=C2COCCN12)C(=O)[O-]	REAL300011836062	0	43	0.0	-31.15	359.44	7.42	-23.73
CC#CCC([NH2+]CC1=CC=C(C(=O)N2CCCCC2)C=C1)C(=O)[O-]	REAL300011836063	0	48	0.0	-33.19	378.71	9.92	-23.27
CC#CCC([NH2+]CC1=CC=C(C(F)(F)F)C(Cl)=C1Cl)C(=O)[O-]	REAL300011836064	0	34	0.0	-32.12	323.89	9.75	-22.37
CC#CCC([NH2+]CC1=CNN=C1C1=CC=C(Cl)O1)C(=O)[O-]	REAL300011836065	0	35	0.0	-32.70	318.28	7.41	-25.29
CC#CCC([NH2+]CC1=CC=C(S(N)(=O)=O)C=C1Br)C(=O)[O-]	REAL300011836066	0	36	0.0	-31.41	335.66	3.61	-27.80
CC#CCC([NH2+]CC1=C(Cl)C=CC=C1Br)C(=O)[O-]	REAL300011836067	0	31	0.0	-23.49	293.71	8.83	-14.66
CC#CCC([NH2+]CC1=CC=C(F)C(Br)=C1F)C(=O)[O-]	REAL300011836068	0	31	0.0	-34.42	294.73	8.68	-25.74
CC#CCC([NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-]	REAL300011836069	0	51	0.0	-33.30	389.79	9.07	-24.23
CC#CCC([NH2+]CC1=NC=C(Br)C=C1C)C(=O)[O-]	REAL300011836070	0	33	0.0	-23.49	295.23	7.31	-16.18
CC#CCC([NH2+]CC1=CC=CC(S(=O)(=O)C(F)F)=C1)C(=O)[O-]	REAL300011836071	0	37	0.0	-31.64	337.77	5.90	-25.74
CC#CCC([NH2+]CC1=CC=C2CCN(C(=O)OCC3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300011836072	0	53	0.0	-39.54	439.72	12.84	-26.70
CC#CCC([NH2+]CC1=CC(Br)=C(C)N=C1Cl)C(=O)[O-]	REAL300011836073	0	33	0.0	-23.62	311.39	7.77	-15.85
CC#CCC([NH2+]CC1=C(F)C=C(Br)C=C1OCC)C(=O)[O-]	REAL300011836074	0	38	0.0	-25.63	342.67	9.00	-16.63
CC#CCC([NH2+]CC1=C(S(C)(=O)=O)SC=C1)C(=O)[O-]	REAL300011836075	1	34	0.0	-31.68	302.85	4.86	-26.82
CC#CCC([NH2+]CC1=CC=C(OCC2=CC=C(C(=O)OC)O2)C=C1)C(=O)[O-]	REAL300011836076	0	48	0.0	-34.49	414.94	10.25	-24.24
CC#CCC([NH2+]CC1=C(C)SC(C)=C1Br)C(=O)[O-]	REAL300011836077	0	34	0.0	-26.18	312.60	8.94	-17.24
CC#CCC([NH2+]CC1=CN(C)N=C1C1=CC=CC(F)=C1)C(=O)[O-]	REAL300011836078	0	41	0.0	-27.71	350.15	9.24	-18.47
CC#CCC([NH2+]CC1=CC=C(OC(F)(F)F)C=C1F)C(=O)[O-]	REAL300011836079	0	35	0.0	-30.94	316.29	7.82	-23.12
CC#CCC([NH2+]CC1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300011836080	0	37	0.0	-27.30	335.10	9.86	-17.44
CC#CCC([NH2+]CC1=CC=C(N2C=CN=C2C)C=C1C)C(=O)[O-]	REAL300011836081	0	44	0.0	-31.83	356.98	10.95	-20.88
CC#CCC([NH2+]CC1=CC=C(N2C=NC(C)=C2C)C=C1)C(=O)[O-]	REAL300011836082	0	44	0.0	-33.50	361.61	11.59	-21.91
CC#CCC([NH2+]CC1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300011836083	0	34	0.0	-27.46	321.72	10.09	-17.37
CC#CCC([NH2+]CC1=CN(C)N=C1C1=CC=CC=C1Br)C(=O)[O-]	REAL300011836084	0	41	0.0	-35.23	355.11	10.12	-25.11
CC#CCC([NH2+]CC1=CC=CC2=C1C1=C(C=CC=C1)N2)C(=O)[O-]	REAL300011836085	0	41	0.0	-25.67	337.88	10.07	-15.60
CC#CCC([NH2+]CC1=CNN=C1C1=CC=CC(Br)=C1)C(=O)[O-]	REAL300011836086	0	38	0.0	-31.71	343.26	8.51	-23.20
CC#CCC([NH2+]CC1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1C)C(=O)[O-]	REAL300011836087	0	44	0.0	-34.96	376.94	10.65	-24.31
CC#CCC([NH2+]CC1=CNN=C1C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300011836088	0	38	0.0	-27.01	343.79	8.53	-18.48
CC#CCC([NH2+]CC1=CNN=C1C1=CC=CC(F)=C1)C(=O)[O-]	REAL300011836089	0	38	0.0	-28.30	328.65	7.97	-20.33
CC#CCC([NH2+]CC1=C(Br)C=CC=C1Br)C(=O)[O-]	REAL300011836090	0	31	0.0	-22.72	296.88	8.88	-13.84
CC#CCC([NH2+]CC1=C(Br)C=CC=C1OC(F)F)C(=O)[O-]	REAL300011836091	0	35	0.0	-26.21	317.59	8.05	-18.16
CC#CCC([NH2+]CC1=C(Cl)N(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300011836092	0	38	0.0	-29.93	338.60	9.50	-20.43
CC#CCC([NH2+]CC1=C(F)C=C(Br)C=C1F)C(=O)[O-]	REAL300011836093	0	31	0.0	-26.87	297.97	8.74	-18.13
CC#CCC([NH2+]CC1=CC=CC(C(C)(C)C)=C1OC)C(=O)[O-]	REAL300011836094	0	47	0.0	-23.37	357.25	9.72	-13.65
CC#CCC([NH2+]CC1=NC(Br)=CN1C)C(=O)[O-]	REAL300011836095	0	31	0.0	-36.29	288.27	6.93	-29.36
CC#CCC([NH2+]CC1=CC(C(C)(C)OCC2=CC=CC=C2)=CC=C1F)C(=O)[O-]	REAL300011836096	0	54	0.0	-28.21	436.27	12.88	-15.33
CC#CCC([NH2+]CC1=CC2=CC=C(F)C=C2NC1=O)C(=O)[O-]	REAL300011836097	0	37	0.0	-26.97	321.49	7.13	-19.84
CC#CCC([NH2+]CC1=C(C)C=C(C)C(Br)=C1C)C(=O)[O-]	REAL300011836098	0	40	0.0	-27.45	332.20	10.12	-17.33
CC#CCC([NH2+]CC1=CC=C(C(F)(F)C(F)(F)OC)C=C1)C(=O)[O-]	REAL300011836099	0	41	0.0	-31.63	362.24	8.83	-22.80
CC#CCC([NH2+]CC1=CC=CC(NC(=O)OC(C)(C)C)=C1)C(=O)[O-]	REAL300011836100	0	48	0.0	-31.72	388.13	8.30	-23.42
CC#CCC([NH2+]CC1=CC=C(C2=CSC=C2)N=C1)C(=O)[O-]	REAL300011836101	0	37	0.0	-30.15	328.98	8.84	-21.31
CC#CCC([NH2+]CC1=C(OC)C=CC(Br)=C1F)C(=O)[O-]	REAL300011836102	0	35	0.0	-25.60	318.79	8.00	-17.60
CC#CCC([NH2+]CC1=C(F)C=C(C(F)(F)F)C=C1Br)C(=O)[O-]	REAL300011836103	0	34	0.0	-24.85	326.64	9.54	-15.31
CC#CCC([NH2+]CC1=CC=CC2=CC(Cl)=CC=C21)C(=O)[O-]	REAL300011836105	0	37	0.0	-27.25	323.73	10.70	-16.55
CC#CCC([NH2+]CC1=CC=C(Cl)C(Br)=C1F)C(=O)[O-]	REAL300011836106	0	31	0.0	-33.51	303.86	9.09	-24.42
CC#CCC([NH2+]CC1=CC=CC=C1OC1CCCCC1)C(=O)[O-]	REAL300011836107	0	48	0.0	-23.97	372.49	10.77	-13.20
CC#CCC([NH2+]CC1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300011836108	0	42	0.0	-29.89	369.32	11.35	-18.54
CC#CCC([NH2+]CC1=CC=CC=C1COC1CCCCC1)C(=O)[O-]	REAL300011836109	0	51	0.0	-26.59	393.23	11.45	-15.14
CC#CCC([NH2+]CC1=CC=CC=C1OCC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300011836110	0	45	0.0	-26.64	387.90	11.74	-14.90
CC#CCC([NH2+]CC1=CC=C(OC2=CC=CC(OC)=C2)C=C1)C(=O)[O-]	REAL300011836111	0	46	0.0	-32.30	382.10	10.14	-22.16
CC#CCC([NH2+]CC1=CC=C2C(=C1)CCCN2CC)C(=O)[O-]	REAL300011836112	0	46	0.0	-27.18	352.84	9.00	-18.18
CC#CCC([NH2+]CC1=C(Br)N(C)N=C1)C(=O)[O-]	REAL300011836113	0	31	0.0	-27.99	288.78	6.27	-21.72
CC#CCC([NH2+]CC1=CC=C(OC2=CC=CC=C2OC)C=C1)C(=O)[O-]	REAL300011836114	0	46	0.0	-31.41	383.19	10.76	-20.65
CC#CCC([NH2+]CC1=C(F)C=CC(Br)=C1OC)C(=O)[O-]	REAL300011836115	0	35	0.0	-25.54	319.76	8.08	-17.46
CC#CCC([NH2+]CC1=CC=CC=C1CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300011836116	0	44	0.0	-29.37	375.18	12.77	-16.60
CC#CCC([NH2+]CC1=C(Br)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300011836117	0	35	0.0	-25.63	327.48	8.36	-17.27
CC#CCC([NH2+]CC1=CC=CC(SC(F)(F)F)=C1)C(=O)[O-]	REAL300011836118	0	35	0.0	-28.71	322.45	9.52	-19.19
CC#CCC([NH2+]CC1=CC=CC(OCC2=CC=C(Cl)C=C2)=C1)C(=O)[O-]	REAL300011836119	0	45	0.0	-28.11	391.90	11.78	-16.33
CC#CCC([NH2+]CC1=CC=C2C(=C1)CCC21OCCO1)C(=O)[O-]	REAL300011836120	0	44	0.0	-30.98	359.25	8.73	-22.25
CC#CCC([NH2+]CC1=CC=C(Br)C=C1OC(F)F)C(=O)[O-]	REAL300011836121	0	35	0.0	-30.40	323.92	8.29	-22.11
CC#CCC([NH2+]CC1=C(C)C2=CC=C(F)C=C2S1)C(=O)[O-]	REAL300011836122	0	37	0.0	-30.16	324.45	10.11	-20.05
CC#CCC([NH2+]CC1=C(OC)C=C(OC)C2=CC=C(Cl)N=C21)C(=O)[O-]	REAL300011836123	0	44	0.0	-26.80	379.18	7.77	-19.03
CC#CCC([NH2+]CC1=C(F)C=CC(C)=C1Br)C(=O)[O-]	REAL300011836124	0	34	0.0	-24.05	303.18	9.01	-15.04
CC#CCC([NH2+]CC1=CC=CC=C1OCCC1CCCCC1)C(=O)[O-]	REAL300011836125	0	54	0.0	-24.29	416.03	12.27	-12.02
CC#CCC([NH2+]CC1=CC=CC(OCC2CCC2)=C1)C(=O)[O-]	REAL300011836126	0	45	0.0	-27.16	365.65	10.41	-16.75
CC#CCC([NH2+]CC1=CC=C(OCCO)C(OC)=C1)C(=O)[O-]	REAL300011836127	0	43	0.0	-35.26	358.03	5.10	-30.16
CC#CCC([NH2+]CC1=CC=C(OC)C(OCCO)=C1)C(=O)[O-]	REAL300011836128	0	43	0.0	-35.36	358.03	5.10	-30.26
CC#CCC([NH2+]CC1=CN(C)N=C1C1=CC=NN1C)C(=O)[O-]	REAL300011836129	0	41	0.0	-35.54	349.26	6.99	-28.55
CC#CCC([NH2+]CC1=CC=C(OCC2CCCO2)C(OC)=C1)C(=O)[O-]	REAL300011836130	0	50	0.0	-35.47	403.73	8.69	-26.78
CC#CCC([NH2+]CC1=CC=CC(F)=C1C(F)(F)F)C(=O)[O-]	REAL300011836131	0	34	0.0	-34.10	299.09	9.15	-24.95
CC#CCC([NH2+]CC1=C(F)C=CC=C1OCC(F)(F)F)C(=O)[O-]	REAL300011836132	0	38	0.0	-31.65	340.96	8.84	-22.81
CC#CCC([NH2+]CC1=CC=C(C2=CN=C(C(F)F)S2)C=C1)C(=O)[O-]	REAL300011836133	0	40	0.0	-31.63	363.38	9.80	-21.83
CC#CCC([NH2+]CC1=C(Br)C=CC2=C1OCO2)C(=O)[O-]	REAL300011836134	0	34	0.0	-27.20	308.83	7.16	-20.04
CC#CCC([NH2+]CC1=C(S(C)(=O)=O)C=CS1)C(=O)[O-]	REAL300011836135	0	34	0.0	-31.01	302.29	5.05	-25.96
CC#CCC([NH2+]CC1=CC=C(C(F)(F)F)C=C1F)C(=O)[O-]	REAL300011836136	0	34	0.0	-33.47	310.35	9.08	-24.39
CC#CCC([NH2+]CC1=CC(S(C)(=O)=O)=CS1)C(=O)[O-]	REAL300011836137	0	34	0.0	-35.65	318.28	4.66	-30.99
CC#CCC([NH2+]CC1=CN(C2=CC=CC(Cl)=C2)N=C1)C(=O)[O-]	REAL300011836138	0	38	0.0	-31.00	339.46	9.72	-21.28
CC#CCC([NH2+]CC1=C(Br)C=C(C(F)(F)F)S1)C(=O)[O-]	REAL300011836139	0	31	0.0	-26.42	314.87	8.86	-17.56
CC#CCC([NH2+]CC1=CC=C(Br)C=C1OC1CC1)C(=O)[O-]	REAL300011836140	0	39	0.0	-29.48	345.21	9.67	-19.81
CC#CCC([NH2+]CC1=CC([N+](=O)[O-])=CC=C1N(C)C)C(=O)[O-]	REAL300011836141	0	41	0.0	-28.75	345.42	8.69	-20.06
CC#CCC([NH2+]CC1=CC=CC(Cl)=C1C(F)(F)F)C(=O)[O-]	REAL300011836142	0	34	0.0	-33.61	307.56	9.54	-24.07
CC#CCC([NH2+]CC1=C(F)C=CC(Br)=C1Cl)C(=O)[O-]	REAL300011836143	0	31	0.0	-26.00	304.79	9.06	-16.94
CC#CCC([NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1)C(=O)[O-]	REAL300011836144	0	38	0.0	-32.26	331.29	9.34	-22.92
CC#CCC([NH2+]CC1=C(C)N=C(OC)C(Cl)=C1C)C(=O)[O-]	REAL300011836145	0	40	0.0	-26.85	336.29	6.12	-20.73
CC#CCC([NH2+]CC1=CN(C2CCCCC2)N=C1C)C(=O)[O-]	REAL300011836146	0	47	0.0	-30.02	370.30	9.69	-20.33
CC#CCC([NH2+]CC1=CN(C2CCOCC2)N=C1C)C(=O)[O-]	REAL300011836147	0	45	0.0	-30.78	361.06	7.29	-23.49
CC#CCC([NH2+]CC1=CC(Br)=CC2=CC=CN=C21)C(=O)[O-]	REAL300011836148	0	36	0.0	-26.75	327.09	9.19	-17.56
CC#CCC([NH2+]CC1=CC(S(N)(=O)=O)=CS1)C(=O)[O-]	REAL300011836149	0	33	0.0	-35.61	311.86	2.06	-33.55
CC#CCC([NH2+]CC1=CC=C(C(=O)N2CCOCC2)C=C1)C(=O)[O-]	REAL300011836150	0	46	0.0	-34.07	370.76	7.51	-26.56
CC#CCC([NH2+]CC1=CC(C)=CC(Br)=C1F)C(=O)[O-]	REAL300011836151	0	34	0.0	-31.49	310.42	9.29	-22.20
CC#CCC([NH2+]CC1=CC=C(Br)C(Cl)=C1F)C(=O)[O-]	REAL300011836152	0	31	0.0	-33.43	304.01	9.10	-24.33
CC#CCC([NH2+]CC1=CC=CC(OC)=C1Br)C(=O)[O-]	REAL300011836153	0	35	0.0	-29.94	305.84	7.81	-22.13
CC#CCC([NH2+]CC1=CC(Br)=C(OC)C=C1F)C(=O)[O-]	REAL300011836154	0	35	0.0	-30.26	320.50	8.08	-22.18
CC#CCC([NH2+]CC1=CC=C([N+](=O)[O-])C(OC2CC2)=C1)C(=O)[O-]	REAL300011836155	0	41	0.0	-39.10	352.62	10.47	-28.63
CC#CCC([NH2+]CC1=CC(Br)=CC=C1C)C(=O)[O-]	REAL300011836156	0	34	0.0	-24.88	298.51	9.10	-15.78
CC#CCC([NH2+]CC1=CC=C2N=C(OC)SC2=C1)C(=O)[O-]	REAL300011836157	0	37	0.0	-30.80	329.14	5.84	-24.96
CC#CCC([NH2+]CC1=CC(F)=CC(Cl)=C1Cl)C(=O)[O-]	REAL300011836158	0	31	0.0	-28.58	298.28	9.04	-19.54
CC#CCC([NH2+]CC1=CC=CC(OCC(C)(C)C)=C1)C(=O)[O-]	REAL300011836159	0	47	0.0	-26.02	375.69	10.32	-15.70
CC#CCC([NH2+]CC1=CC(Br)=CC(Cl)=C1F)C(=O)[O-]	REAL300011836160	0	31	0.0	-29.76	305.88	9.13	-20.63
CC#CCC([NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1Cl)C(=O)[O-]	REAL300011836161	0	34	0.0	-26.65	317.62	9.41	-17.24
CC#CCC([NH2+]CC1=CC=C2CN(C(=O)OC(C)(C)C)CCC2=C1)C(=O)[O-]	REAL300011836162	0	55	0.0	-33.12	431.95	11.26	-21.86
CC#CCC([NH2+]CC1=C(C)C=C(Br)C=C1C)C(=O)[O-]	REAL300011836163	0	37	0.0	-25.71	315.26	9.57	-16.14
CC#CCC([NH2+]CC1=C(O)C=CC(F)=C1Br)C(=O)[O-]	REAL300011836164	0	32	0.0	-24.18	298.19	5.75	-18.43
CC#CCC([NH2+]CC1=C(C)C=C(Br)S1)C(=O)[O-]	REAL300011836165	0	31	0.0	-24.27	292.84	8.38	-15.89
CC#CCC([NH2+]CC1=NC2=CC(Cl)=CC=C2N1C(C)C)C(=O)[O-]	REAL300011836166	0	43	0.0	-34.51	364.19	10.14	-24.37
CC#CCC([NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300011836167	0	44	0.0	-29.55	368.84	12.52	-17.03
CC#CCC([NH2+]CC1=CC(Cl)=CC(Cl)=C1Br)C(=O)[O-]	REAL300011836168	0	31	0.0	-27.33	310.09	9.54	-17.79
CC#CCC([NH2+]CC1=CC=C(NC(=O)CCCC)C=C1)C(=O)[O-]	REAL300011836169	0	47	0.0	-31.17	385.45	9.32	-21.85
CC#CCC([NH2+]CC1=CSC(Br)=C1Br)C(=O)[O-]	REAL300011836170	0	28	0.0	-22.64	292.63	8.17	-14.47
CC#CCC([NH2+]CC1=CC=CC(Br)=C1Br)C(=O)[O-]	REAL300011836171	0	31	0.0	-29.55	296.20	9.01	-20.54
CC#CCC([NH2+]CC1=C(C)C(Br)=C(Br)S1)C(=O)[O-]	REAL300011836172	0	31	0.0	-26.24	313.10	8.94	-17.30
CC#CCC([NH2+]CC1=CC(Cl)=CN=C1Br)C(=O)[O-]	REAL300011836173	0	30	0.0	-23.41	292.01	7.20	-16.21
CC#CCC([NH2+]CC1=CN(C(C)(C)C)N=C1C(C)(C)C)C(=O)[O-]	REAL300011836174	0	52	0.0	-25.39	394.02	10.22	-15.17
CC#CCC([NH2+]CC1=CC=C(OC(F)(F)F)C(Cl)=C1)C(=O)[O-]	REAL300011836175	0	35	0.0	-29.00	325.92	8.33	-20.67
CC#CCC([NH2+]CC1=CC=CC(C2CC(F)(F)C2(F)F)=C1)C(=O)[O-]	REAL300011836176	0	41	0.0	-31.51	354.62	10.88	-20.63
CC#CCC([NH2+]CC1=CC=CC(O[Si](C)(C)C(C)(C)C)=C1)C(=O)[O-]	REAL300011836177	0	53	0.0	-28.05	424.99	12.97	-15.08
CC#CCC([NH2+]CC1=CC=C(C(F)(F)F)C=C1Br)C(=O)[O-]	REAL300011836178	0	34	0.0	-29.94	318.44	9.55	-20.39
CC#CCC([NH2+]CC1=CC2=NC=C(Br)C=C2O1)C(=O)[O-]	REAL300011836179	0	33	0.0	-29.39	310.00	7.37	-22.02
CC#CCC([NH2+]CC1=C2SC(C(F)F)=NC2=CC=C1)C(=O)[O-]	REAL300011836180	0	36	0.0	-34.40	331.80	8.40	-26.00
CC#CCC([NH2+]CC1=CC2=C(CCOC2)N=C1Cl)C(=O)[O-]	REAL300011836181	0	38	0.0	-25.68	326.97	6.70	-18.98
CC#CCC([NH2+]CC1=CC2=CC(Br)=CC=C2S1)C(=O)[O-]	REAL300011836182	0	34	0.0	-27.46	324.70	10.21	-17.25
CC#CCC([NH2+]CC1=CC=C(Br)C=C1Br)C(=O)[O-]	REAL300011836184	0	31	0.0	-27.84	298.48	9.08	-18.76
CC#CCC([NH2+]CC1=CC(Br)=CC(F)=C1F)C(=O)[O-]	REAL300011836185	0	31	0.0	-31.75	298.15	8.79	-22.96
CC#CCC([NH2+]CC1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300011836186	0	31	0.0	-30.21	306.71	9.19	-21.02
CC#CCC([NH2+]CC1=CC(Br)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300011836187	0	33	0.0	-34.93	314.24	9.31	-25.62
CC#CCC([NH2+]CC1=CC=C(Br)C(F)=C1OC)C(=O)[O-]	REAL300011836188	0	35	0.0	-25.38	320.28	8.04	-17.34
CC#CCC([NH2+]CC1=CC=CC(C(F)(F)F)=C1F)C(=O)[O-]	REAL300011836189	0	34	0.0	-25.56	307.38	9.00	-16.56
CC#CCC([NH2+]CC1=CN(C(C)(C)C)N=C1C(C)C)C(=O)[O-]	REAL300011836190	0	49	0.0	-29.82	390.41	9.68	-20.14
CC#CCC([NH2+]CC1=CC2=CC=CC=C2C(Br)=C1)C(=O)[O-]	REAL300011836191	0	37	0.0	-31.11	328.45	10.75	-20.36
CC#CCC([NH2+]CC1=CC=C(N2CCC(O)C2)C=C1)C(=O)[O-]	REAL300011836192	0	44	0.0	-29.25	352.33	5.02	-24.23
CC#CCC([NH2+]CC1=CC=C(CN2C=C(Br)C=N2)C=C1)C(=O)[O-]	REAL300011836193	0	41	0.0	-31.02	369.37	10.25	-20.77
CC#CCC([NH2+]CC1=C(F)C=C(I)C=C1F)C(=O)[O-]	REAL300011836194	0	31	0.0	-26.71	304.45	9.21	-17.50
CC#CCC([NH2+]CC1=C(OC)C=CC(OC)=C1OC)C(=O)[O-]	REAL300011836195	0	43	0.0	-26.27	351.87	6.63	-19.64
CC#CCC([NH2+]CC1=CC=CC=C1C(=O)N1CCCCC1)C(=O)[O-]	REAL300011836196	0	48	0.0	-36.46	374.47	10.23	-26.23
CC#CCC([NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1F)C(=O)[O-]	REAL300011836197	0	45	0.0	-24.97	377.13	11.48	-13.49
CC#CCC([NH2+]CC1=C(Br)C=CC(OC)=C1O)C(=O)[O-]	REAL300011836198	0	36	0.0	-28.59	321.49	5.70	-22.89
CC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(C)=C1	REAL300011836199	0	42	0.0	-27.96	343.71	11.05	-16.91
CC1=CC=C(C)C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836200	0	42	0.0	-27.73	343.71	11.05	-16.68
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC2=CC=CN=C2C=C1	REAL300011836201	0	41	0.0	-32.07	348.82	10.27	-21.80
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1CC2C=CC1C2	REAL300011836202	0	41	0.0	-30.46	325.70	10.48	-19.98
CC(C)(C)C1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836203	0	48	0.0	-24.99	380.49	12.66	-12.33
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CNN=C1C1=CC=CC=C1	REAL300011836204	0	43	0.0	-27.96	363.81	9.77	-18.19
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(Br)O1	REAL300011836205	0	33	0.0	-32.43	310.93	8.81	-23.62
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836206	0	46	0.0	-33.93	389.25	11.66	-22.27
COC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CC=C1OC(F)F	REAL300011836207	0	44	0.0	-33.11	377.03	9.43	-23.68
CCOC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CC=C1OC	REAL300011836208	0	47	0.0	-33.32	389.13	10.06	-23.26
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1	REAL300011836209	0	50	0.0	-28.32	414.26	13.68	-14.64
CCCCCOC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836210	0	52	0.0	-31.72	426.80	12.47	-19.25
CC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1C	REAL300011836211	0	42	0.0	-28.10	339.26	11.08	-17.02
CC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1C	REAL300011836212	0	42	0.0	-29.10	346.94	11.15	-17.95
COC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1Br	REAL300011836213	0	40	0.0	-34.00	358.44	9.91	-24.09
CC(C)OC1=CC=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836214	0	46	0.0	-30.47	379.19	10.83	-19.64
CCCCOC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1OC	REAL300011836215	0	53	0.0	-33.18	432.12	11.65	-21.53
CCCOC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1OC	REAL300011836216	0	50	0.0	-33.17	410.62	10.87	-22.30
C=CCOC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1OC	REAL300011836217	0	48	0.0	-33.51	402.03	10.65	-22.86
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)O1	REAL300011836218	0	43	0.0	-29.54	387.79	12.27	-17.27
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)O1	REAL300011836219	0	43	0.0	-24.95	381.58	12.78	-12.17
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1	REAL300011836220	0	46	0.0	-36.76	395.07	11.54	-25.22
CCC1=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C2=CC=CC=C2O1	REAL300011836221	0	45	0.0	-27.88	379.57	11.90	-15.98
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CSC(C2=CC=C(F)C=C2)=N1	REAL300011836222	0	42	0.0	-23.46	375.68	11.19	-12.27
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC=C1OC(F)(F)F	REAL300011836223	0	40	0.0	-28.97	349.00	10.19	-18.78
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(SC(F)(F)F)C=C1	REAL300011836224	0	40	0.0	-31.63	364.09	11.38	-20.25
COC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C([N+](=O)[O-])C=C1O	REAL300011836225	0	43	0.0	-23.62	364.77	8.07	-15.55
COC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(Cl)=C1	REAL300011836226	0	40	0.0	-25.92	349.87	9.64	-16.28
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(OC(F)(F)F)C=C1	REAL300011836227	0	40	0.0	-32.30	355.84	9.79	-22.51
N#CC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836228	0	37	0.0	-32.80	325.28	10.71	-22.09
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CNN=C1C1=CC=C(F)C=C1	REAL300011836229	0	43	0.0	-29.01	370.52	9.84	-19.17
CC1=CC=C(C2=NNC=C2C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836230	0	46	0.0	-31.78	386.46	10.49	-21.29
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CNN=C1C1=CC=CS1	REAL300011836231	0	40	0.0	-31.95	345.89	8.70	-23.25
COC1=CC=C(C2=NNC=C2C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836232	0	47	0.0	-30.33	395.73	9.13	-21.20
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CSC2=CC=CC=C12	REAL300011836233	0	39	0.0	-29.20	343.86	11.28	-17.92
CCOC1=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(C)=NN1CC(C)C	REAL300011836234	0	55	0.0	-30.39	444.33	10.52	-19.87
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC2=CC=CC=C2OC1	REAL300011836235	0	42	0.0	-31.20	355.86	10.49	-20.71
CC1=CC=C(C2=CC=C(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])O2)C=C1	REAL300011836236	0	46	0.0	-28.98	392.47	12.43	-16.55
CC1=CC=C(C2=NNC=C2C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])O1	REAL300011836237	0	43	0.0	-30.74	360.08	9.83	-20.91
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CNN=C1C1=CC=CN=C1	REAL300011836238	0	42	0.0	-36.15	359.74	7.97	-28.18
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(OCC2CCCO2)C=C1	REAL300011836239	0	51	0.0	-34.52	419.27	10.49	-24.03
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(Cl)S1	REAL300011836240	0	33	0.0	-23.56	311.69	10.06	-13.50
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)S1	REAL300011836241	0	43	0.0	-25.24	378.67	13.18	-12.06
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC2=CC=CN=C21	REAL300011836242	0	41	0.0	-30.06	344.20	10.86	-19.20
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC=C1OCC1=CC=CC=N1	REAL300011836243	0	49	0.0	-28.24	412.53	11.63	-16.61
COC1=NC2=CC=CC=C2C=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836244	0	45	0.0	-27.89	379.43	8.96	-18.93
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(N2C=CC=N2)C=C1	REAL300011836245	0	43	0.0	-33.22	366.90	11.15	-22.07
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(N2C=NC=N2)C=C1	REAL300011836246	0	42	0.0	-35.12	361.84	12.47	-22.65
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(C2=CC=CC=C2F)S1	REAL300011836247	0	43	0.0	-31.28	387.07	12.95	-18.33
CCC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])O1	REAL300011836248	1	39	0.0	-31.61	334.00	9.72	-21.89
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC(F)=CC=C1F	REAL300011836249	0	36	0.0	-32.19	322.79	9.96	-22.23
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC(C(F)(F)F)=CC=C1Cl	REAL300011836250	0	39	0.0	-27.69	361.74	11.37	-16.32
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(F)C=C1Cl	REAL300011836251	0	36	0.0	-25.77	326.80	10.42	-15.35
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(F)C(Cl)=C1	REAL300011836252	0	36	0.0	-33.87	331.12	10.51	-23.36
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1	REAL300011836253	0	39	0.0	-36.13	352.85	11.00	-25.13
CCOC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836254	0	43	0.0	-32.60	361.17	10.22	-22.38
CC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1F	REAL300011836255	0	39	0.0	-29.22	335.24	10.66	-18.56
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC(Cl)=CC=C1Cl	REAL300011836256	0	36	0.0	-28.90	339.34	10.80	-18.10
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(F)C=C1C(F)(F)F	REAL300011836257	0	39	0.0	-29.63	335.20	11.26	-18.37
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC(F)=C(F)C(F)=C1	REAL300011836258	0	36	0.0	-34.87	328.87	10.18	-24.69
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC(F)=CC(C(F)(F)F)=C1	REAL300011836259	0	39	0.0	-33.67	355.98	10.93	-22.74
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC(C(F)(F)F)=CC=C1F	REAL300011836260	0	39	0.0	-24.70	348.00	11.39	-13.31
COC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(Cl)=C1OC	REAL300011836261	0	44	0.0	-31.17	376.75	10.04	-21.13
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC2=CC=CC=C2S1	REAL300011836262	0	39	0.0	-31.50	345.82	11.48	-20.02
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(Cl)C(F)=C1	REAL300011836263	0	36	0.0	-33.95	331.12	10.52	-23.43
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC(Cl)=CC=C1OC(F)F	REAL300011836264	0	40	0.0	-30.26	365.46	10.02	-20.24
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CNN=C1C1=CC=C2OCOC2=C1	REAL300011836265	0	46	0.0	-42.53	388.48	8.58	-33.95
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CN=C1Cl	REAL300011836266	0	35	0.0	-26.74	317.74	8.48	-18.26
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1	REAL300011836267	0	49	0.0	-34.03	415.99	11.50	-22.53
CC(C)C1=NN(C)C=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836268	0	45	0.0	-30.37	375.08	9.62	-20.75
CC(C)C1=NN(C)C(Cl)=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836269	0	45	0.0	-26.89	387.27	9.86	-17.03
COCCOC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836270	0	47	0.0	-35.38	395.81	9.36	-26.02
COC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1Cl	REAL300011836271	0	40	0.0	-34.02	354.06	9.80	-24.22
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CSC(C2=CC=CC=N2)=N1	REAL300011836272	0	41	0.0	-29.70	371.10	8.79	-20.91
CC(C)N1C2=CC=CC=C2N=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836273	0	48	0.0	-25.91	388.11	11.47	-14.44
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC(OCC(F)(F)F)=C1	REAL300011836274	0	43	0.0	-35.10	379.46	10.64	-24.46
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC2=C1OCCO2	REAL300011836275	0	42	0.0	-28.92	352.78	9.20	-19.72
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC2=C1OCCCO2	REAL300011836276	0	45	0.0	-29.99	367.51	9.93	-20.06
CCCN1C2=CC=CC=C2N=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836277	0	48	0.0	-33.47	395.63	12.06	-21.41
CCCOC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836278	0	46	0.0	-32.71	383.70	10.89	-21.82
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC(C2=CC=CC=C2)=CS1	REAL300011836279	0	43	0.0	-30.96	375.92	12.57	-18.39
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC(OC2CCCC2)=C1	REAL300011836280	0	50	0.0	-28.73	402.62	12.14	-16.59
CC(C)OC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836281	0	46	0.0	-28.30	374.21	11.21	-17.09
CC1=CC=C(C2=NC(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])=CS2)C=C1	REAL300011836282	0	45	0.0	-33.24	394.68	11.41	-21.83
CC(C)C1=NC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CS1	REAL300011836283	0	41	0.0	-26.38	358.61	8.90	-17.48
CC(C)(C)C1=NC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CS1	REAL300011836284	0	44	0.0	-22.14	371.15	9.88	-12.26
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CSC(C2=CSC=C2)=N1	REAL300011836285	0	39	0.0	-27.04	366.72	9.60	-17.44
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1	REAL300011836286	0	43	0.0	-30.10	385.09	12.71	-17.39
CN(C)C(=O)COC1=CC=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836287	0	50	0.0	-33.74	414.55	10.77	-22.97
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC=C1OC1CCCC1	REAL300011836288	0	50	0.0	-26.66	401.40	12.18	-14.48
CC1=CC=C(C2=CC=C(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])S2)C=C1	REAL300011836289	0	46	0.0	-24.42	393.69	13.79	-10.63
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836290	0	40	0.0	-24.82	366.70	10.76	-14.06
CCOC1=C(OC)C=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1OC	REAL300011836291	0	51	0.0	-34.20	423.62	10.05	-24.15
COCCCOC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836292	0	50	0.0	-34.54	416.34	10.10	-24.44
CC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CN=C1Cl	REAL300011836293	0	38	0.0	-35.33	341.34	9.10	-26.23
COC1=CC=C(OC(F)F)C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836294	0	44	0.0	-26.23	371.81	9.24	-16.99
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=C(Cl)C=CC=C1OC(F)F	REAL300011836295	0	40	0.0	-29.30	361.79	10.05	-19.25
CC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CC=C1OC1=CC=CN=C1	REAL300011836296	0	49	0.0	-31.75	412.37	11.70	-20.05
CC1=CC=C(C2=NC=C(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])S2)C=C1	REAL300011836297	0	45	0.0	-30.68	396.24	11.70	-18.98
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC(Cl)=CC2=CC=CN=C21	REAL300011836298	0	41	0.0	-28.67	366.32	11.03	-17.64
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(F)C2=CC=CN=C12	REAL300011836299	0	41	0.0	-27.06	353.10	10.48	-16.58
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC(F)=CC2=CC=CN=C21	REAL300011836300	0	41	0.0	-28.52	354.71	10.54	-17.98
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(Cl)C2=CC=CN=C12	REAL300011836301	0	41	0.0	-27.64	364.10	10.94	-16.70
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(C2=C(F)C=CC=C2F)O1	REAL300011836302	0	43	0.0	-26.47	379.16	12.39	-14.08
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])O1	REAL300011836303	0	46	0.0	-24.55	391.62	12.97	-11.58
CCC1=CC=C(C2=CC=C(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])O2)C=C1	REAL300011836304	0	49	0.0	-28.83	413.97	13.21	-15.62
COC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(OC(F)F)=C1	REAL300011836305	0	44	0.0	-30.74	377.23	8.92	-21.82
COC1=CC=C2OC(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])=CC2=C1	REAL300011836306	0	43	0.0	-26.37	361.78	10.14	-16.23
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC=CC1=CC=C(Cl)C=C1	REAL300011836307	0	40	0.0	-34.32	358.60	11.70	-22.62
CC1=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C2=CC=CC=C2O1	REAL300011836308	0	42	0.0	-27.60	355.72	11.05	-16.55
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=COC2=CC=CC=C12	REAL300011836309	0	39	0.0	-28.89	332.36	10.71	-18.18
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(OC2=CC=CC=C2)O1	REAL300011836310	0	44	0.0	-30.34	377.31	11.57	-18.77
CC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1Br	REAL300011836311	0	39	0.0	-28.63	348.02	11.13	-17.50
CC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])N=C1	REAL300011836312	0	38	0.0	-32.63	324.96	8.77	-23.86
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC=CC1=CC=C(F)C=C1F	REAL300011836313	0	40	0.0	-33.44	350.66	11.30	-22.14
CC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CC=C1Br	REAL300011836314	0	39	0.0	-29.71	347.19	11.10	-18.61
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=NN(C2=CC=CC=C2)C=C1	REAL300011836315	0	43	0.0	-35.34	368.76	11.11	-24.23
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=C(Cl)SC=C1	REAL300011836316	0	33	0.0	-21.58	308.61	9.87	-11.71
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC(Cl)=CC2=C1OCC2	REAL300011836317	0	41	0.0	-31.07	363.31	10.21	-20.86
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC2=C(F)C=CC=C2N1	REAL300011836318	0	40	0.0	-26.34	342.81	10.35	-15.99
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC2=CC=C(F)C=C2N1	REAL300011836319	0	40	0.0	-32.56	348.16	10.00	-22.56
CCOC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=N1	REAL300011836320	0	42	0.0	-34.08	358.82	7.58	-26.50
CC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CC2=CC=CN=C12	REAL300011836321	0	44	0.0	-33.55	368.94	11.10	-22.45
CC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CC=C1Cl	REAL300011836322	0	39	0.0	-29.76	343.16	11.01	-18.75
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN=C2C=CSC2=C1	REAL300011836323	0	38	0.0	-31.44	339.58	9.39	-22.05
CCCC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836324	0	45	0.0	-29.36	372.91	12.16	-17.20
CCN(CC)C1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1F	REAL300011836325	0	50	0.0	-33.58	407.80	11.00	-22.58
COC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C(SC)C=C1OC	REAL300011836326	0	48	0.0	-30.84	399.93	9.99	-20.85
COC1=CC=C2N=C(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])SC2=C1	REAL300011836327	0	42	0.0	-29.17	370.20	8.76	-20.41
CN1C2=CC(Cl)=CC=C2N=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836328	0	42	0.0	-34.36	372.53	10.82	-23.54
COC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1C#N	REAL300011836329	0	41	0.0	-40.08	358.24	9.66	-30.42
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(SC(F)F)C=C1	REAL300011836330	0	40	0.0	-31.97	357.53	11.18	-20.79
CC1=CC(Cl)=CC(C)=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836331	0	42	0.0	-28.21	360.38	11.52	-16.69
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(OC(F)F)C(F)=C1	REAL300011836332	0	40	0.0	-34.57	354.01	9.59	-24.98
CCOC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])N=C1	REAL300011836333	0	42	0.0	-27.85	357.23	8.23	-19.62
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836334	0	42	0.0	-25.55	354.26	11.82	-13.73
COC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CC(Cl)=C1OC	REAL300011836335	0	44	0.0	-32.65	389.54	9.70	-22.95
COC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1OCC(C)C	REAL300011836336	0	53	0.0	-32.83	430.73	11.55	-21.28
CCCOC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CC=C1OC	REAL300011836337	0	50	0.0	-33.16	410.63	10.87	-22.29
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(Br)S1	REAL300011836338	0	33	0.0	-23.51	316.32	10.16	-13.35
CCOC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CC(Cl)=C1OC	REAL300011836339	0	47	0.0	-29.93	405.01	11.09	-18.84
C=CCOC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836340	0	44	0.0	-32.74	374.07	10.82	-21.92
COC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1OC(C)C	REAL300011836341	0	50	0.0	-25.77	404.42	10.75	-15.02
CCOC1=C(Cl)C=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1OC	REAL300011836342	0	47	0.0	-32.56	411.40	10.66	-21.90
CCCOC1=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=CC=C1OCC	REAL300011836343	0	53	0.0	-29.27	432.28	11.92	-17.35
CCCCOC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CC=C1OC	REAL300011836344	0	53	0.0	-33.03	432.12	11.65	-21.38
COC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1OC(F)F	REAL300011836345	0	44	0.0	-36.21	377.03	9.44	-26.77
CCOC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CC=C1OC(F)F	REAL300011836346	0	47	0.0	-32.78	398.89	10.35	-22.43
CC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CC(C)=C1OC(F)F	REAL300011836347	0	46	0.0	-32.60	387.18	10.98	-21.62
CCOC1=CC2=C(C=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-])OC(C)C2	REAL300011836348	0	51	0.0	-26.39	411.50	11.21	-15.18
COC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CC2=C1OCCO2	REAL300011836349	0	46	0.0	-35.38	383.56	9.02	-26.36
CCCCN1N=C(C)C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1Cl	REAL300011836350	0	48	0.0	-29.61	412.79	11.05	-18.56
CCOC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1OC(F)F	REAL300011836351	0	47	0.0	-29.50	398.69	10.47	-19.03
CC1=CC(C)=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1C	REAL300011836352	0	45	0.0	-27.28	358.34	11.68	-15.60
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(C2=CC=CC=C2)S1	REAL300011836353	0	43	0.0	-24.54	372.27	13.11	-11.43
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(C2=CC=CC(F)=C2F)O1	REAL300011836354	0	43	0.0	-40.14	383.38	12.02	-28.12
CC(C)(C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-])C1=CC=CC=C1	REAL300011836355	0	45	0.0	-32.17	357.82	11.69	-20.48
CN1C=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(C2CCCCC2)=N1	REAL300011836356	0	52	0.0	-31.92	413.37	11.44	-20.48
CC1CCC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])CC1	REAL300011836357	0	45	0.0	-30.48	345.64	10.60	-19.88
CC(CCC1=CC=CC=C1)C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836358	0	48	0.0	-34.22	388.77	12.87	-21.35
CCC1CCCC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C1	REAL300011836359	0	48	0.0	-32.18	362.34	11.16	-21.02
CC1(C)CCC2=C(C1)SC(C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-])=N2	REAL300011836360	1	48	0.0	-26.70	394.14	10.64	-16.06
CCC1=CC=CC(Cl)=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836361	0	42	0.0	-28.42	360.66	11.49	-16.93
CC1=C(C)C=C2OC(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])=CC2=C1	REAL300011836362	0	45	0.0	-29.27	377.00	11.59	-17.68
CCCC1CCC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])CC1	REAL300011836363	0	51	0.0	-30.27	390.48	12.37	-17.90
CC1CCCCC1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836364	0	45	0.0	-30.20	339.98	10.52	-19.68
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CNN=C1C1=CC=C(Cl)C=C1	REAL300011836365	0	43	0.0	-28.43	380.84	10.28	-18.15
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(N2C=CN=C2)C=C1	REAL300011836366	0	43	0.0	-36.70	366.89	12.27	-24.43
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(C2=CC=CC=C2F)O1	REAL300011836367	0	43	0.0	-25.91	373.10	12.34	-13.57
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC(Cl)=C2OCCOC2=C1	REAL300011836368	0	42	0.0	-33.35	370.32	9.68	-23.67
CCCCC1=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C2=CC=CC=C2O1	REAL300011836369	0	51	0.0	-29.99	420.45	13.38	-16.61
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC(Cl)=C2OCCCOC2=C1	REAL300011836370	0	45	0.0	-34.86	389.70	10.35	-24.51
COC1=CC=C(C)C=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836371	0	43	0.0	-30.40	360.39	9.90	-20.50
COC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1F	REAL300011836372	0	40	0.0	-35.59	344.25	9.32	-26.27
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1CCC(C(F)(F)F)CC1	REAL300011836373	0	45	0.0	-32.42	358.30	10.75	-21.67
CC(C)C1CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])CCO1	REAL300011836374	0	49	0.0	-30.64	378.14	9.80	-20.84
CC1(C)CCC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])CC1	REAL300011836375	0	48	0.0	-31.86	364.84	11.21	-20.65
CCSC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836376	0	43	0.0	-32.64	371.50	11.85	-20.79
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=C(O)C=CC(Cl)=C1F	REAL300011836377	1	37	0.0	-28.10	341.00	7.73	-20.37
COC1(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])CCCCC1	REAL300011836378	0	46	0.0	-26.49	351.52	9.29	-17.20
CCN1N=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C2=CC=CC=C21	REAL300011836379	0	45	0.0	-28.06	382.58	10.65	-17.41
COCCC1(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])CCCCC1	REAL300011836380	0	52	0.0	-29.47	385.36	9.96	-19.51
CCCOC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836381	0	46	0.0	-31.73	383.81	10.91	-20.82
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC2=CC=CC=C2O1	REAL300011836382	0	39	0.0	-24.72	332.33	10.86	-13.86
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(C2=CC=CC=C2)O1	REAL300011836383	0	43	0.0	-33.65	370.05	11.87	-21.78
COC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CC=C1OC(C)C	REAL300011836384	0	50	0.0	-33.25	407.66	10.73	-22.52
CCCOC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1OCC	REAL300011836385	0	53	0.0	-32.93	432.48	11.79	-21.14
CC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300011836386	0	41	0.0	-39.87	355.26	11.25	-28.62
CC(C)OC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836387	0	46	0.0	-30.63	379.14	10.84	-19.79
CC(C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-])CC1=CC=C(C(C)(C)C)C=C1	REAL300011836388	0	57	0.0	-30.93	440.67	14.27	-16.66
CC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CC=C1F	REAL300011836389	0	39	0.0	-31.48	336.59	10.69	-20.79
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=C2NC=CC2=CC=C1	REAL300011836390	0	40	0.0	-29.99	341.23	9.99	-20.00
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=C(Br)C=CS1	REAL300011836391	0	33	0.0	-24.24	313.97	9.97	-14.27
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC=C1N1CCOCC1	REAL300011836392	0	49	0.0	-27.75	391.05	9.44	-18.31
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC(F)=CC=C1Br	REAL300011836393	0	36	0.0	-28.45	330.88	10.43	-18.02
CC(C)CC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836394	0	48	0.0	-28.74	388.84	12.60	-16.14
CC1=CC=C(C2=CC=CC(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])=C2)C=C1	REAL300011836395	0	49	0.0	-30.91	406.44	13.95	-16.96
COC1=CC=C(Br)C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836396	0	40	0.0	-26.17	355.74	9.74	-16.43
COC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300011836397	0	42	0.0	-35.89	364.05	10.68	-25.21
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC(Cl)=CC(Cl)=C1	REAL300011836398	0	36	0.0	-30.12	340.41	10.76	-19.36
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC(F)=CC(Cl)=C1	REAL300011836399	0	36	0.0	-32.03	334.04	10.47	-21.56
CC1=CC=CC(C)=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836400	0	42	0.0	-26.59	340.29	11.02	-15.57
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC(Br)=CO1	REAL300011836401	0	33	0.0	-31.28	312.31	8.76	-22.52
CC1=CC=CC=C1C1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836402	0	49	0.0	-29.55	403.77	13.99	-15.56
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC(OC(F)F)=C1	REAL300011836403	0	40	0.0	-33.03	347.78	9.53	-23.50
CCOC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1OCC	REAL300011836404	0	50	0.0	-33.19	410.98	10.99	-22.20
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(Cl)C=C1F	REAL300011836405	0	36	0.0	-27.50	332.15	10.53	-16.97
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300011836406	0	39	0.0	-35.29	360.42	11.36	-23.93
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(F)C=C1Br	REAL300011836407	0	36	0.0	-25.26	330.38	10.52	-14.74
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC(OC(F)(F)F)=C1	REAL300011836408	0	40	0.0	-28.29	350.45	10.13	-18.16
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC(Cl)=CC=C1F	REAL300011836409	0	36	0.0	-31.75	333.11	10.40	-21.35
COC1=CC=CC=C1C1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836410	0	50	0.0	-27.21	412.54	13.39	-13.82
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC(F)=CC(F)=C1	REAL300011836411	0	36	0.0	-32.47	323.64	10.00	-22.47
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC(Cl)=C1F	REAL300011836412	0	36	0.0	-27.12	330.28	10.48	-16.64
COC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C2=CC=CC=C12	REAL300011836413	0	46	0.0	-29.95	373.70	11.32	-18.63
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=NNC=C1C1=CC=CC=C1	REAL300011836414	0	43	0.0	-29.44	364.90	9.83	-19.61
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=C(C2=CC=CC=C2)C=NN1	REAL300011836414	1	43	0.0	-28.36	369.13	9.80	-18.56
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC(F)=C1F	REAL300011836415	0	36	0.0	-28.38	321.71	10.07	-18.31
CN1C2=CC=CC=C2N=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836416	0	42	0.0	-27.74	356.28	10.34	-17.40
COC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=N1	REAL300011836417	0	39	0.0	-32.67	337.86	6.56	-26.11
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C2OCCC2=C1	REAL300011836418	0	41	0.0	-27.08	340.32	10.18	-16.90
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CSC(Br)=C1	REAL300011836419	0	33	0.0	-31.80	321.47	9.68	-22.12
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC(C2=CC=CC=C2)=C1	REAL300011836420	0	46	0.0	-32.41	385.05	13.27	-19.14
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC=C1OCC1=CC=CN=C1	REAL300011836421	0	49	0.0	-32.23	412.26	11.46	-20.77
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(N2CCCC2)N=C1	REAL300011836422	0	47	0.0	-31.34	384.76	9.79	-21.55
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=C2C=CNC2=CC=C1	REAL300011836423	0	40	0.0	-29.15	339.72	9.97	-19.18
CC1=CC(F)=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836424	0	39	0.0	-24.97	321.89	10.89	-14.08
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(Br)C(F)=C1	REAL300011836425	0	36	0.0	-33.82	335.53	10.62	-23.20
CC1=NC(C)=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])S1	REAL300011836426	0	38	0.0	-29.23	335.89	8.33	-20.90
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC(C2=CC=CC=N2)=C1	REAL300011836427	0	45	0.0	-29.92	380.25	11.83	-18.09
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1	REAL300011836428	0	45	0.0	-30.67	373.67	11.97	-18.70
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1	REAL300011836429	0	45	0.0	-32.13	377.11	11.57	-20.56
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836430	0	51	0.0	-28.16	401.82	10.49	-17.67
CN1CCN(C2=CC=C(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])C=C2)CC1	REAL300011836431	1	53	0.0	-30.04	416.93	8.62	-21.42
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1	REAL300011836432	0	45	0.0	-34.26	391.18	8.48	-25.78
CNC(=O)C1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836433	0	43	0.0	-34.93	364.17	8.20	-26.73
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1	REAL300011836434	0	43	0.0	-31.98	372.96	11.19	-20.79
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1	REAL300011836435	0	43	0.0	-32.48	385.42	11.72	-20.76
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(OCC(F)(F)F)C=C1	REAL300011836436	0	43	0.0	-33.00	380.80	10.68	-22.32
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC2=CC=CC=C2C=C1	REAL300011836437	0	42	0.0	-31.17	355.93	12.25	-18.92
COC1=C2OC(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])=CC2=CC=C1	REAL300011836438	0	43	0.0	-36.56	365.93	9.77	-26.79
CC(C)C1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300011836439	0	47	0.0	-41.02	392.96	12.51	-28.51
CC1=NN(CC2=CC=CC=C2)C(C)=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836440	0	52	0.0	-33.44	426.50	12.39	-21.05
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC(Br)=CC=C1F	REAL300011836441	0	36	0.0	-31.51	337.68	10.50	-21.01
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(Br)C=C1F	REAL300011836442	0	36	0.0	-27.41	336.71	10.64	-16.77
COC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CC(OC)=C1	REAL300011836443	0	44	0.0	-31.66	368.82	8.61	-23.05
COC1=CC2=CC=C(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])C=C2C=C1	REAL300011836444	0	46	0.0	-29.21	379.91	11.88	-17.33
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC(Br)=CS1	REAL300011836446	0	33	0.0	-24.99	316.12	10.06	-14.93
CC1=NN(C2=CC=CC=C2)C(C)=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836447	0	49	0.0	-33.73	405.26	12.06	-21.67
COC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1OC(F)F	REAL300011836448	0	44	0.0	-29.30	375.51	9.50	-19.80
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(CSC(F)F)O1	REAL300011836449	0	40	0.0	-34.40	370.38	10.56	-23.84
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC2=CC=CC=C2NC1=O	REAL300011836450	0	42	0.0	-24.22	354.78	9.38	-14.84
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(F)C(Br)=C1	REAL300011836452	0	36	0.0	-33.87	335.53	10.60	-23.27
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(N2CCCCC2)C=C1	REAL300011836453	0	51	0.0	-29.83	401.48	11.23	-18.60
CCCCCCOC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836454	0	55	0.0	-31.76	445.88	13.32	-18.44
COC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CC=C1SC	REAL300011836455	0	44	0.0	-33.01	377.44	10.29	-22.72
N#CCCCOC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836456	0	47	0.0	-39.76	402.24	11.49	-28.27
CCC(C)OC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CC=C1OC	REAL300011836457	0	53	0.0	-32.74	427.87	11.50	-21.24
C=C(C)COC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CC=C1OC	REAL300011836458	0	51	0.0	-33.26	421.44	11.42	-21.84
C=CCC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CC(OC)=C1O	REAL300011836459	0	48	0.0	-27.70	399.32	9.48	-18.22
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC(C2=CC=CC=C2)=NN1	REAL300011836460	0	43	0.0	-28.22	363.83	10.25	-17.97
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836461	0	45	0.0	-33.74	389.02	10.83	-22.91
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN(C2=CC=CC=C2)N=N1	REAL300011836462	0	42	0.0	-39.21	362.77	9.81	-29.40
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=NC(C2=CC=CC=C2)=CS1	REAL300011836463	1	42	0.0	-27.48	370.87	10.69	-16.79
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(N2CCOCC2)C(F)=C1	REAL300011836464	0	49	0.0	-34.31	402.58	9.08	-25.23
CN1C=NC2=CC(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])=CC=C21	REAL300011836465	0	42	0.0	-34.20	352.82	11.68	-22.52
CCN1N=C(C)C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1C	REAL300011836466	0	45	0.0	-32.58	373.53	9.64	-22.94
C=CCOC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1Cl	REAL300011836467	0	44	0.0	-34.05	388.81	11.31	-22.74
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN=C(C2=CC=CC=C2)S1	REAL300011836468	0	42	0.0	-30.59	372.72	10.94	-19.65
COC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C2OC(C)CC2=C1	REAL300011836469	0	48	0.0	-26.88	394.14	9.78	-17.10
CC1(C)CC2=CC(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])=CC=C2O1	REAL300011836470	0	47	0.0	-32.81	388.25	11.12	-21.69
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=COC(C2=CC=CC=C2)=N1	REAL300011836471	0	42	0.0	-34.95	364.36	8.34	-26.61
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CSC(C2=CC=CS2)=N1	REAL300011836472	0	39	0.0	-27.23	367.31	9.69	-17.54
CC1=CC=CC(C2=NNC=C2C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836473	0	46	0.0	-27.84	385.26	10.44	-17.40
CC1=CC=C(F)C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836474	0	39	0.0	-30.75	333.63	10.62	-20.13
CC1=CC=C(F)C=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836475	0	39	0.0	-28.14	328.70	10.46	-17.68
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300011836476	0	39	0.0	-27.33	359.89	11.82	-15.51
CC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(Br)=C1	REAL300011836477	0	39	0.0	-25.60	347.54	11.20	-14.40
CC1=NC=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836478	0	38	0.0	-31.28	319.69	8.58	-22.70
CC(C)COC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836479	0	49	0.0	-26.74	397.27	12.05	-14.69
COCCOC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836480	0	47	0.0	-29.48	389.30	9.82	-19.66
CC1(C)CCCC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C1	REAL300011836481	0	48	0.0	-31.59	365.82	11.10	-20.49
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1	REAL300011836482	0	40	0.0	-33.42	363.81	10.07	-23.35
CC1=CCCC(C)C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836483	0	46	0.0	-22.51	344.48	11.56	-10.95
COC1=CC2=C(C=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-])OCO2	REAL300011836484	0	43	0.0	-32.62	364.98	7.89	-24.73
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN=CC2=CC=CC=C21	REAL300011836485	0	41	0.0	-29.89	344.24	10.16	-19.73
CC(C)COC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836486	0	49	0.0	-28.00	397.39	12.04	-15.96
CC1=CC(Cl)=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836487	0	39	0.0	-29.32	339.03	10.90	-18.42
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC=CC1=CC=C(F)C=C1	REAL300011836488	0	40	0.0	-33.73	344.40	11.11	-22.62
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(Cl)N=C1	REAL300011836489	0	35	0.0	-34.68	321.57	8.63	-26.05
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN=CC(Br)=C1	REAL300011836490	0	35	0.0	-31.11	324.69	8.77	-22.34
CN1N=NC2=CC(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])=CC=C21	REAL300011836491	0	41	0.0	-33.92	351.70	8.36	-25.56
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1CCCCCC1	REAL300011836492	0	45	0.0	-30.86	343.10	10.75	-20.11
CC1(C)CC2=CC=CC(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])=C2O1	REAL300011836493	0	47	0.0	-32.79	388.07	11.09	-21.70
COC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=N1	REAL300011836494	0	39	0.0	-33.69	335.65	6.60	-27.09
CN1C=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300011836495	0	46	0.0	-25.34	383.94	11.50	-13.84
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC(N2C=CC=N2)=C1	REAL300011836496	0	43	0.0	-31.49	368.23	11.20	-20.29
CC(C)N1C=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=N1	REAL300011836497	0	42	0.0	-30.98	353.84	9.06	-21.92
CC1=C(Br)SC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836498	0	36	0.0	-23.38	335.93	10.77	-12.61
CC1=NC2=CC=C(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])C=C2C=C1	REAL300011836499	0	44	0.0	-33.14	372.52	10.97	-22.17
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=NC=CC=C1C(F)(F)F	REAL300011836500	0	38	0.0	-29.35	325.48	8.81	-20.54
CC1=CC(C)=CC(C2=CC=C(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])C=C2)=C1	REAL300011836501	0	52	0.0	-32.01	427.96	14.62	-17.39
CC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CC=C1N1C=NC=N1	REAL300011836502	0	45	0.0	-34.50	377.46	13.41	-21.09
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC2=CC(F)=CC=C2O1	REAL300011836503	0	39	0.0	-25.34	338.72	10.93	-14.41
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(OCC(F)F)C=C1	REAL300011836504	0	43	0.0	-37.40	375.32	10.43	-26.97
COCC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836505	0	43	0.0	-31.72	363.59	9.67	-22.05
CCCCOC1=CC=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836506	0	49	0.0	-27.42	402.86	11.86	-15.56
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1	REAL300011836507	0	47	0.0	-27.51	404.91	14.42	-13.09
CC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C(OC(F)F)C=C1C	REAL300011836508	0	46	0.0	-28.08	383.98	10.75	-17.33
COC1=CC(C)=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1OC	REAL300011836509	0	47	0.0	-32.57	383.36	9.79	-22.78
CN1C2=CC=C(Cl)C=C2N=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836510	0	42	0.0	-27.07	371.75	10.81	-16.26
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CNN=C1C1=CSC=C1	REAL300011836511	0	40	0.0	-31.44	355.64	8.80	-22.64
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300011836512	0	46	0.0	-33.80	401.49	11.60	-22.20
CC1CCC2=C(C1)SC(C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-])=N2	REAL300011836513	1	45	0.0	-26.04	377.03	10.27	-15.77
CC(C)(C)C1CCC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])CC1	REAL300011836514	0	54	0.0	-30.99	399.98	12.35	-18.64
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836515	0	50	0.0	-32.34	413.11	12.66	-19.68
COC1=CC=C(C2=CC=CC=C2)C=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836516	0	50	0.0	-29.82	412.12	12.76	-17.06
CC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C(C)O1	REAL300011836517	0	39	0.0	-27.79	329.40	9.53	-18.26
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836518	0	49	0.0	-34.14	408.28	10.89	-23.25
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(OCC2CC2)C=C1	REAL300011836519	0	47	0.0	-27.13	387.34	12.13	-15.00
COC1=CC(Cl)=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1Cl	REAL300011836520	0	40	0.0	-28.49	368.05	10.28	-18.21
CC(C)CC1=NC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])S1	REAL300011836521	0	44	0.0	-30.28	376.22	9.96	-20.32
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN=C(C2=CC=CS2)S1	REAL300011836522	0	39	0.0	-31.83	366.77	10.09	-21.74
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN=C(C2=CSC=C2)S1	REAL300011836523	0	39	0.0	-30.74	367.00	9.84	-20.90
CC1=CC=C(C2=NC=C(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])S2)O1	REAL300011836524	0	42	0.0	-31.13	379.53	9.92	-21.21
CC1=CC(Br)=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836525	0	39	0.0	-29.25	343.59	11.00	-18.25
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CNN=C1C1=CC=CC=C1F	REAL300011836526	0	43	0.0	-31.65	359.30	10.37	-21.28
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1F	REAL300011836527	0	45	0.0	-29.69	382.65	11.59	-18.10
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=C(Cl)OC2=CC=CC=C21	REAL300011836528	0	39	0.0	-28.87	352.65	10.91	-17.96
COCCOC1=CC=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836529	0	47	0.0	-29.87	393.49	9.54	-20.33
COC1=C(Br)C=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836530	0	40	0.0	-26.65	359.83	10.03	-16.62
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=NC2=C(CCC2)S1	REAL300011836531	1	39	0.0	-27.18	339.17	9.12	-18.06
CN1C=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(C2=CC=CS2)=N1	REAL300011836532	0	43	0.0	-29.07	362.45	10.51	-18.56
COC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836533	0	40	0.0	-31.05	339.35	9.29	-21.76
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)O1	REAL300011836534	0	43	0.0	-25.05	371.08	12.29	-12.76
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])S1	REAL300011836535	0	44	0.0	-29.13	374.54	9.70	-19.43
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C2OCCOC2=C1	REAL300011836536	0	42	0.0	-33.94	354.36	9.15	-24.79
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC(Br)=C1	REAL300011836537	0	36	0.0	-31.79	329.82	10.56	-21.23
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC(Cl)=C1	REAL300011836538	0	36	0.0	-31.74	325.25	10.46	-21.28
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN(C2=CC=CC=C2)N=C1	REAL300011836539	0	43	0.0	-35.00	368.69	11.20	-23.80
CC(C)(C)N1C=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=N1	REAL300011836540	0	45	0.0	-30.51	372.56	9.81	-20.70
CC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CC(C)=C1	REAL300011836541	0	42	0.0	-29.56	352.66	11.31	-18.25
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(CO)O1	REAL300011836542	0	37	0.0	-34.61	322.60	5.56	-29.05
CC(=O)NC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836543	0	43	0.0	-35.14	366.22	8.87	-26.27
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC=C1Cl	REAL300011836544	0	36	0.0	-29.80	320.55	10.45	-19.35
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC([N+](=O)[O-])=C1	REAL300011836545	0	38	0.0	-41.00	338.03	10.67	-30.33
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C([N+](=O)[O-])C=C1	REAL300011836546	0	38	0.0	-36.99	338.06	10.66	-26.33
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC2=CC=CC=C21	REAL300011836547	0	42	0.0	-27.35	348.68	12.05	-15.30
CN(C)C1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836548	0	44	0.0	-30.51	362.46	10.29	-20.22
CCN(CC)C1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836549	0	50	0.0	-28.94	402.82	12.22	-16.72
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(Br)C=C1	REAL300011836550	0	36	0.0	-30.96	331.14	10.62	-20.34
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(Cl)C=C1	REAL300011836551	0	36	0.0	-31.03	326.58	10.51	-20.52
COC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CC(OC)=C1OC	REAL300011836552	0	48	0.0	-34.30	401.77	9.11	-25.19
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=C(F)C=CC=C1Cl	REAL300011836553	0	36	0.0	-25.27	323.80	10.76	-14.51
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(F)C=C1	REAL300011836554	0	36	0.0	-31.64	316.26	10.06	-21.58
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC=C1OC(F)F	REAL300011836555	0	40	0.0	-28.38	345.60	9.55	-18.83
COC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1OC	REAL300011836556	0	44	0.0	-27.42	368.63	9.24	-18.18
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(Cl)C=C1Cl	REAL300011836557	0	36	0.0	-26.30	339.28	10.94	-15.36
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(N2CCOCC2)C=C1	REAL300011836558	0	49	0.0	-30.76	391.71	8.75	-22.01
COC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1OC	REAL300011836559	0	44	0.0	-33.52	367.27	9.14	-24.38
COC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(OC)=C1	REAL300011836560	0	44	0.0	-28.53	367.50	8.63	-19.90
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(C(F)(F)F)C=C1	REAL300011836561	0	39	0.0	-33.06	349.68	10.89	-22.17
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(F)C=C1F	REAL300011836562	0	36	0.0	-27.88	321.82	10.08	-17.80
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC(Cl)=C1Cl	REAL300011836563	0	36	0.0	-25.91	336.41	10.85	-15.06
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(Cl)C(Cl)=C1	REAL300011836564	0	36	0.0	-33.01	340.44	10.92	-22.09
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(OC(F)F)C=C1	REAL300011836565	0	40	0.0	-33.92	349.10	9.57	-24.35
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC=C1C(F)(F)F	REAL300011836566	0	39	0.0	-35.60	336.32	10.97	-24.63
CCCCOC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836567	0	49	0.0	-26.87	398.67	12.13	-14.74
CC(C)CCOC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836568	0	52	0.0	-31.71	422.87	12.22	-19.49
CCCCCCOC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836569	0	55	0.0	-31.74	448.30	13.26	-18.48
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC(OC2=CC=CC=C2)=C1	REAL300011836570	0	47	0.0	-34.45	398.91	12.84	-21.61
COC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836571	0	40	0.0	-28.35	333.93	9.63	-18.72
CC(=CC1=CC=CC=C1)C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836572	0	43	0.0	-30.11	356.62	11.78	-18.33
CCOC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1OC	REAL300011836573	0	47	0.0	-33.46	389.13	10.07	-23.39
CC(C)C1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836574	0	45	0.0	-29.89	371.17	11.82	-18.07
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC(C(F)(F)F)=C1	REAL300011836575	0	39	0.0	-34.31	348.55	10.99	-23.32
COC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(OC)=C1OC	REAL300011836576	0	48	0.0	-34.11	402.72	9.08	-25.03
CCOC1=CC=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836577	0	43	0.0	-26.74	357.70	10.20	-16.54
CCOC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836578	0	43	0.0	-27.10	355.67	10.55	-16.55
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC=C1F	REAL300011836579	0	36	0.0	-31.50	312.25	9.96	-21.54
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC(F)=C1	REAL300011836580	0	36	0.0	-32.70	314.93	10.02	-22.68
COC1=CC=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836581	0	40	0.0	-28.05	338.00	9.34	-18.71
CC1=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])SC=C1	REAL300011836582	0	36	0.0	-28.49	316.46	9.58	-18.91
COC1=CC=C(Br)C=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836583	0	40	0.0	-25.41	353.88	10.30	-15.11
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(C2=CC=CC=C2)C=C1	REAL300011836584	0	46	0.0	-30.63	381.92	13.33	-17.30
CC1=CC=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836585	0	39	0.0	-27.82	322.50	10.54	-17.28
COC1=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C2=CC=CC=C2C=C1	REAL300011836586	0	46	0.0	-27.66	374.71	11.30	-16.36
CC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836587	0	39	0.0	-30.00	332.35	10.56	-19.44
N#CC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836588	0	37	0.0	-34.60	328.55	10.31	-24.29
CSC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836589	0	40	0.0	-30.66	350.06	11.01	-19.65
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=C(Cl)C=CC=C1Cl	REAL300011836590	0	36	0.0	-26.20	333.92	10.67	-15.53
COC1=CC(OC)=C(OC)C=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836591	0	48	0.0	-31.14	396.61	8.56	-22.58
CC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836592	0	39	0.0	-29.91	331.22	10.67	-19.24
CCC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836593	0	42	0.0	-29.72	352.74	11.43	-18.29
CC1=CC(C)=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(C)=C1	REAL300011836594	0	45	0.0	-23.18	354.91	11.93	-11.25
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=C(F)C=CC=C1F	REAL300011836595	0	36	0.0	-30.66	320.47	10.04	-20.62
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(F)C(F)=C1	REAL300011836596	0	36	0.0	-35.12	321.23	10.07	-25.05
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC(OCC2=CC=CC=C2)=C1	REAL300011836597	0	50	0.0	-34.33	422.08	13.15	-21.18
CC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])S1	REAL300011836598	0	36	0.0	-27.89	322.94	9.77	-18.12
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC=C1Br	REAL300011836599	0	36	0.0	-29.10	322.38	10.51	-18.59
COC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1O	REAL300011836600	0	41	0.0	-33.95	348.79	7.09	-26.86
CC1=NN(C)C(C)=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836601	0	42	0.0	-32.18	349.56	8.70	-23.48
CC1=NN(C)C(Cl)=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836602	0	39	0.0	-29.35	346.67	8.59	-20.76
CCC1=NN(C)C=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836603	0	42	0.0	-28.77	347.59	9.43	-19.34
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN(CC(F)(F)F)N=C1	REAL300011836604	0	39	0.0	-37.72	349.17	8.92	-28.80
CN1C=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(C(C)(C)C)=N1	REAL300011836605	0	48	0.0	-27.21	373.15	10.22	-16.99
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(Cl)O1	REAL300011836606	0	33	0.0	-32.53	306.29	8.70	-23.83
CN(CCC#N)C1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836607	0	48	0.0	-36.40	404.02	11.85	-24.55
CCOC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1OC	REAL300011836608	0	47	0.0	-31.18	389.50	10.16	-21.02
COC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1OCC(N)=O	REAL300011836609	0	48	0.0	-41.13	405.86	7.11	-34.02
C#CCOC1=CC=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836610	0	42	0.0	-27.92	363.49	10.75	-17.17
CC1=NOC(C)=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836611	0	38	0.0	-32.31	326.96	8.78	-23.53
CC1=NC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CS1	REAL300011836612	0	35	0.0	-32.37	315.04	7.67	-24.70
COC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CC2=C1OCO2	REAL300011836613	0	43	0.0	-35.19	363.28	7.86	-27.33
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=NN(C2=CC=CC=C2)N=C1	REAL300011836614	0	42	0.0	-34.03	362.12	9.70	-24.33
COC1=CC2=C(C=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-])OC(C)C2	REAL300011836615	0	48	0.0	-30.48	395.95	9.83	-20.65
CCN(C(C)=O)C1=NC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CS1	REAL300011836616	0	45	0.0	-32.03	389.07	9.69	-22.34
COC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1C	REAL300011836617	0	43	0.0	-31.02	358.10	9.99	-21.03
CC(C)(C)C1=NNC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836618	0	45	0.0	-28.91	358.43	8.75	-20.16
COC1=CC=CC(OC)=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836619	0	44	0.0	-28.77	364.00	8.63	-20.14
COC1=CC=C(F)C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836620	0	40	0.0	-28.39	344.84	9.19	-19.20
CSC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])S1	REAL300011836621	0	37	0.0	-28.96	344.35	10.19	-18.77
CC1=CC=CC=C1C1=CC=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836622	0	49	0.0	-28.00	393.26	13.56	-14.44
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC2=C1OCO2	REAL300011836623	0	39	0.0	-27.70	334.54	8.60	-19.10
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=C(Cl)C=CS1	REAL300011836624	0	33	0.0	-24.85	309.95	9.87	-14.98
CS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836625	0	42	0.0	-37.17	368.39	7.44	-29.73
COC1=CC=C(F)C=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836626	0	40	0.0	-30.54	345.38	9.30	-21.24
NC(=O)C1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836627	0	40	0.0	-34.87	342.24	6.70	-28.17
COC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CC=C1F	REAL300011836628	0	40	0.0	-33.41	344.25	9.31	-24.10
COC1=CC=C(Cl)C=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836629	0	40	0.0	-25.57	349.31	10.20	-15.37
COC(=O)C1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CN1C	REAL300011836630	0	43	0.0	-39.22	367.95	10.14	-29.08
CC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1Cl	REAL300011836631	0	39	0.0	-28.72	343.99	11.05	-17.67
COC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CC=C1C	REAL300011836632	0	43	0.0	-30.07	358.10	9.99	-20.08
CC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1F	REAL300011836633	0	39	0.0	-26.66	334.42	10.61	-16.05
N#CC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(F)=C1	REAL300011836634	0	37	0.0	-31.76	336.23	10.39	-21.37
CC1=NNC(C)=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836635	0	39	0.0	-28.70	329.03	7.48	-21.22
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1	REAL300011836636	0	49	0.0	-31.23	411.74	11.50	-19.73
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(Br)C=N1	REAL300011836637	0	35	0.0	-27.19	327.12	8.64	-18.55
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN=C(N2CCOCC2)S1	REAL300011836638	0	45	0.0	-31.74	384.52	7.18	-24.56
C#CCCOC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836639	0	45	0.0	-27.40	382.95	11.88	-15.52
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN2C=CC=CC2=N1	REAL300011836640	0	39	0.0	-29.39	337.82	10.37	-19.02
CC1=NN(C)C2=NC=C(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])C=C12	REAL300011836641	0	44	0.0	-36.19	377.17	9.62	-26.57
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CSC(C2CC2)=N1	REAL300011836642	0	39	0.0	-32.30	344.16	9.13	-23.17
CCC1=NC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CS1	REAL300011836643	0	38	0.0	-32.78	337.85	8.45	-24.33
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN2C=C(Cl)C=CC2=N1	REAL300011836644	0	39	0.0	-35.05	352.13	10.95	-24.10
CC1=NN(C)C=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836645	0	39	0.0	-33.69	333.24	8.25	-25.44
CCOCC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CC=C1OC	REAL300011836646	0	50	0.0	-28.90	412.11	10.16	-18.74
CCN1C=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=N1	REAL300011836647	0	39	0.0	-30.28	328.80	9.00	-21.28
NC(=O)C1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836648	0	40	0.0	-41.47	344.36	6.77	-34.70
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=NC=CN1CC(F)(F)F	REAL300011836649	0	39	0.0	-37.40	344.91	9.40	-28.00
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1CCCCCCC1	REAL300011836650	0	48	0.0	-30.09	353.51	11.06	-19.03
CC1=CSC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=N1	REAL300011836651	1	35	0.0	-26.57	314.29	7.65	-18.92
COC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1F	REAL300011836652	0	40	0.0	-28.53	344.72	9.32	-19.21
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=C(F)C=CC=C1Br	REAL300011836653	0	36	0.0	-24.94	327.84	10.85	-14.09
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C2CCCC2=C1	REAL300011836654	0	43	0.0	-25.04	349.93	12.24	-12.80
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CSC=C1Br	REAL300011836655	0	33	0.0	-25.83	318.19	9.48	-16.35
CC(C)COC1=CC=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836656	0	49	0.0	-26.34	394.09	11.53	-14.81
CCN1N=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836657	0	39	0.0	-29.38	324.69	8.27	-21.11
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=NC2=C(CCCC2)S1	REAL300011836658	1	42	0.0	-26.55	357.07	9.70	-16.85
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC(F)=CC(Br)=C1	REAL300011836659	0	36	0.0	-31.93	338.61	10.57	-21.36
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC2=CC=NC=C2C=C1	REAL300011836660	0	41	0.0	-32.29	348.70	10.38	-21.91
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC(F)=C1Br	REAL300011836661	0	36	0.0	-25.97	330.53	10.53	-15.44
CC1=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])SC=N1	REAL300011836662	0	35	0.0	-29.79	314.34	7.60	-22.19
COC1=CC(F)=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836663	0	40	0.0	-26.95	340.34	9.70	-17.25
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC(Br)=C1F	REAL300011836664	0	36	0.0	-27.07	334.69	10.59	-16.48
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=N1	REAL300011836665	0	46	0.0	-32.31	381.48	9.95	-22.36
CC1=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=CS1	REAL300011836666	0	36	0.0	-28.53	315.72	9.65	-18.88
CS(=O)C1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836667	0	41	0.0	-36.88	359.91	8.51	-28.37
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C2CCCCC2=C1	REAL300011836668	0	46	0.0	-29.76	372.51	12.49	-17.27
N#CC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=N1	REAL300011836669	0	36	0.0	-40.61	323.65	8.38	-32.23
COC(=O)C1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CN1	REAL300011836670	0	40	0.0	-39.45	350.19	8.38	-31.07
COCC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])O1	REAL300011836671	0	40	0.0	-34.10	346.17	8.00	-26.10
COC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(C)=C1OC	REAL300011836672	0	47	0.0	-30.18	381.44	9.79	-20.39
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CSC(Cl)=C1Cl	REAL300011836673	0	33	0.0	-32.70	331.79	9.87	-22.83
CC1=NC(F)=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836674	0	38	0.0	-30.38	324.88	8.70	-21.68
COC1=CC(C)=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836675	0	43	0.0	-26.91	357.28	9.93	-16.98
CC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CS1	REAL300011836676	0	36	0.0	-29.36	321.71	9.74	-19.62
CC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])N=N1	REAL300011836677	0	37	0.0	-37.67	320.06	7.66	-30.01
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN=C(C(F)(F)F)S1	REAL300011836678	0	35	0.0	-31.69	334.60	8.35	-23.34
CS(=O)(=O)C1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836679	0	42	0.0	-39.65	370.51	7.51	-32.14
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC(Cl)=CS1	REAL300011836680	0	33	0.0	-25.01	311.53	9.95	-15.06
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(C2CCCC2)C=C1	REAL300011836681	0	49	0.0	-29.08	392.45	13.20	-15.88
CC1=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])N(C)N=C1	REAL300011836682	0	39	0.0	-25.38	324.37	8.48	-16.90
CC1=CC(Cl)=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836683	0	39	0.0	-28.64	346.66	11.11	-17.53
COCC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836684	0	43	0.0	-30.78	362.76	9.65	-21.13
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=NC=CN1C1=CC=CC=C1	REAL300011836685	0	43	0.0	-25.80	365.25	11.56	-14.24
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(C2CC2)C=C1	REAL300011836686	0	43	0.0	-29.56	358.10	12.10	-17.46
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=NC=C(Cl)S1	REAL300011836687	0	32	0.0	-26.38	309.55	7.68	-18.70
C=CN1C=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=N1	REAL300011836688	0	37	0.0	-32.67	325.42	8.88	-23.79
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=NN1C1CCCC1	REAL300011836689	0	46	0.0	-28.36	372.83	10.40	-17.96
COC1=CC2=CC=CC=C2C=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836690	0	46	0.0	-28.09	378.27	11.97	-16.12
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(C(F)F)C=C1	REAL300011836691	0	39	0.0	-30.85	341.86	10.85	-20.00
COC1=CC(C)=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(C)=N1	REAL300011836692	0	45	0.0	-28.32	365.51	7.57	-20.75
COC1=CC=CC(Cl)=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836693	0	40	0.0	-23.92	346.65	10.10	-13.82
CCC1=CC(OC)=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836694	0	46	0.0	-24.92	363.81	10.79	-14.13
CC1=NC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])N1C1=CC=CC=C1	REAL300011836695	0	46	0.0	-30.45	388.85	12.27	-18.18
CC1=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=NN1C	REAL300011836696	0	39	0.0	-25.44	323.07	8.56	-16.88
CCCN1N=C(C)C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1C	REAL300011836697	0	48	0.0	-28.65	391.65	10.28	-18.37
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN=C(C2CC2)N=C1	REAL300011836698	0	41	0.0	-32.61	351.84	9.65	-22.96
COCCN1C=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=N1	REAL300011836699	0	43	0.0	-32.27	368.85	7.59	-24.68
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(C2CCC2)C=C1	REAL300011836700	0	46	0.0	-29.79	375.94	12.63	-17.16
COC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CC2=CC=CC=C21	REAL300011836701	0	46	0.0	-31.44	384.35	11.59	-19.85
CCOC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1F	REAL300011836702	0	43	0.0	-35.53	366.11	10.25	-25.28
COC1=CC=CC2=C(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])C=CC=C12	REAL300011836703	0	46	0.0	-29.36	379.21	11.48	-17.88
N#CC1=CSC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836704	0	34	0.0	-36.26	322.10	9.37	-26.89
COC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CC=C1C#N	REAL300011836705	0	41	0.0	-37.16	358.24	9.65	-27.51
CC1=CC=CC=C1N1N=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836706	0	46	0.0	-27.92	384.58	11.73	-16.19
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=NC=C(C(F)(F)F)S1	REAL300011836707	0	35	0.0	-28.35	335.20	8.30	-20.05
CC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CC=C1C#N	REAL300011836708	0	40	0.0	-34.79	348.53	10.84	-23.95
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC2=C(C=C1OC(F)F)OCO2	REAL300011836709	0	43	0.0	-32.84	373.71	8.28	-24.56
COC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(Br)=C1	REAL300011836710	0	40	0.0	-25.50	353.45	9.74	-15.76
CC1=CN=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])S1	REAL300011836711	1	35	0.0	-27.41	316.55	7.92	-19.49
CC(C)CN1C=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=N1	REAL300011836712	0	45	0.0	-31.12	376.50	10.07	-21.05
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC=C1C1CC1	REAL300011836713	0	43	0.0	-28.38	350.02	11.75	-16.63
CC1=CC(Br)=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])S1	REAL300011836714	0	36	0.0	-26.23	341.43	10.43	-15.80
CC(C)(C)OC(=O)C1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836715	0	51	0.0	-37.41	419.51	12.70	-24.71
CC(C)SC1=CC=CC(Cl)=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836716	0	46	0.0	-27.47	399.42	12.67	-14.80
CCC1=CN=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])S1	REAL300011836717	1	38	0.0	-27.21	338.05	8.70	-18.51
CN1C(=O)CCC2=CC(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])=CC=C21	REAL300011836718	0	47	0.0	-36.86	384.39	10.84	-26.02
CC1=CC=C(OC(F)F)C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836719	0	43	0.0	-26.81	363.75	10.63	-16.18
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN=C(C2=CC=CC=C2F)S1	REAL300011836720	0	42	0.0	-34.10	379.36	11.26	-22.84
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC(Cl)=CC=C1OCC1CC1	REAL300011836721	0	47	0.0	-28.82	408.26	12.36	-16.46
CC1=NN(C(C)C)C=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836722	0	45	0.0	-32.59	373.47	9.64	-22.95
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN=C(C2CCCC2)S1	REAL300011836723	0	45	0.0	-30.09	381.73	10.63	-19.46
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN=C(C2CC2)S1	REAL300011836724	0	39	0.0	-30.50	348.75	9.50	-21.00
CC(C)C1=NC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])S1	REAL300011836725	0	41	0.0	-29.59	357.50	9.26	-20.33
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN=C(C2=CC=CO2)S1	REAL300011836726	0	39	0.0	-31.57	357.62	9.10	-22.47
CN1C=C(C2=CC=C(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])C=C2)C=N1	REAL300011836727	0	46	0.0	-33.50	387.82	11.22	-22.28
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN(CC(F)F)N=C1	REAL300011836728	0	39	0.0	-28.85	340.64	9.33	-19.52
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(OC2=CC=CC(F)=C2)C=C1	REAL300011836729	0	47	0.0	-32.33	403.65	12.86	-19.47
CN1C=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(C2=CC=C(F)C=C2)=N1	REAL300011836730	0	46	0.0	-25.06	390.35	11.57	-13.49
CN1C=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(C2=CC=C(C#N)C=C2)=N1	REAL300011836731	0	47	0.0	-33.20	410.04	11.53	-21.67
CN(C)C(=O)C1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])N1	REAL300011836732	0	44	0.0	-37.40	365.65	8.14	-29.26
NC(=O)C1=CSC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836733	0	37	0.0	-34.94	330.76	6.20	-28.74
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=N1	REAL300011836734	0	50	0.0	-36.20	419.28	12.32	-23.88
CCC1=NN(C)C(CC)=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836735	0	48	0.0	-31.56	394.70	10.22	-21.34
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN=C(C2CCC2)S1	REAL300011836736	0	42	0.0	-30.10	364.42	10.10	-20.00
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN=C(C2CCCO2)S1	REAL300011836737	0	43	0.0	-33.75	374.90	8.07	-25.68
CC1=CC=CC=C1N1C=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])N=N1	REAL300011836738	0	45	0.0	-38.32	383.89	10.71	-27.61
CN1N=C(Br)C=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836739	0	36	0.0	-32.89	332.15	8.06	-24.83
CN1C=C(C2=CC=C(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])S2)C=N1	REAL300011836740	0	43	0.0	-32.90	384.77	10.55	-22.35
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C2OCCCCOC2=C1	REAL300011836741	0	48	0.0	-34.13	386.77	10.79	-23.34
CCOC1=C(Cl)C=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836742	0	43	0.0	-29.57	372.46	10.78	-18.79
CCC1=CC=CC(F)=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836743	0	42	0.0	-31.09	352.47	11.09	-20.00
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(F)C(Cl)=C1Cl	REAL300011836744	0	36	0.0	-22.20	337.34	11.31	-10.89
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=NN(C(F)F)C=C1	REAL300011836745	0	36	0.0	-25.32	319.90	8.18	-17.14
COC1=CC=CC=C1N1N=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836746	0	47	0.0	-27.29	389.86	10.72	-16.57
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=C(F)C=CC=C1OC(F)(F)F	REAL300011836747	0	40	0.0	-30.11	359.78	9.88	-20.23
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=NN1C1=CC=C(F)C=C1	REAL300011836748	0	43	0.0	-29.62	366.57	10.74	-18.88
CC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(C2=CN(C)N=C2)=C1	REAL300011836749	0	49	0.0	-29.14	409.12	11.72	-17.42
CC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(C2=CC=NN2C)=C1	REAL300011836750	0	49	0.0	-28.29	396.41	11.72	-16.57
CC(C)C1=CN=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])S1	REAL300011836751	1	41	0.0	-26.92	358.00	9.28	-17.64
CC(C)(C)C1=CN=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])S1	REAL300011836752	1	44	0.0	-26.82	376.20	9.78	-17.04
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=C(C2CC2)N=CS1	REAL300011836753	0	39	0.0	-29.51	345.35	9.42	-20.09
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(Cl)C=C1N1C=NC=N1	REAL300011836754	0	42	0.0	-28.24	358.56	13.76	-14.48
COC(=O)C1=C(C)N(C)C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836755	0	46	0.0	-31.84	387.90	10.50	-21.34
COCCCN1N=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836756	0	46	0.0	-29.45	379.86	8.10	-21.35
CC1=CC(F)=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(Cl)=C1	REAL300011836757	0	39	0.0	-22.71	343.60	11.38	-11.33
COCCOCC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836758	0	50	0.0	-33.94	420.39	9.95	-23.99
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CSC=C1C(F)(F)F	REAL300011836760	0	36	0.0	-25.08	327.59	9.89	-15.19
CC1=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])SC2=C(Cl)C=CC=C12	REAL300011836761	0	42	0.0	-27.52	381.47	12.39	-15.13
CCN1N=C(C)C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=N1	REAL300011836762	0	41	0.0	-28.41	349.98	7.46	-20.95
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC(C2CC2)=C1	REAL300011836763	0	43	0.0	-29.49	359.06	12.09	-17.40
CC1=NN(C)C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836764	0	39	0.0	-31.24	331.09	8.10	-23.14
N#CC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1F	REAL300011836765	0	37	0.0	-38.99	335.28	10.38	-28.61
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C2OC(F)(F)OC2=C1	REAL300011836766	0	39	0.0	-32.29	348.13	9.05	-23.24
CC1=CC(F)=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(F)=C1	REAL300011836767	0	39	0.0	-25.17	336.32	11.05	-14.12
CC1=CC=C(C2=NN(C)C=C2C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])O1	REAL300011836768	0	46	0.0	-30.90	383.07	11.14	-19.76
CC(C)CN1N=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836769	0	45	0.0	-28.68	371.08	9.97	-18.71
COC(=O)C1=C(C)C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CN1	REAL300011836770	0	43	0.0	-38.40	368.40	8.88	-29.52
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836771	0	46	0.0	-33.74	386.55	12.25	-21.49
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836772	0	49	0.0	-31.80	410.49	12.41	-19.39
CC(C)(C#N)C1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836773	0	46	0.0	-37.40	387.57	11.84	-25.56
CC(C)C1=CC=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836774	0	45	0.0	-27.00	361.62	11.69	-15.31
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=NN2CCCCC2=C1	REAL300011836775	0	43	0.0	-28.33	355.41	9.19	-19.14
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN=NN1C1=CC=CC=C1	REAL300011836776	0	42	0.0	-31.23	361.28	9.52	-21.71
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC2=CN=CC=C2O1	REAL300011836777	0	38	0.0	-30.96	333.42	8.66	-22.30
COC1=CC(OC)=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1F	REAL300011836778	0	44	0.0	-32.51	373.62	8.72	-23.79
COC1=CC(F)=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1OC	REAL300011836779	0	44	0.0	-32.93	370.90	9.17	-23.76
CC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(Cl)=C1	REAL300011836780	0	39	0.0	-26.02	343.96	11.10	-14.92
CCC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836781	0	42	0.0	-29.34	351.41	11.38	-17.96
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836782	0	49	0.0	-29.51	403.62	12.77	-16.74
COC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(F)=C1	REAL300011836783	0	40	0.0	-27.01	342.75	9.22	-17.79
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC2=C1CCC2	REAL300011836784	0	43	0.0	-28.87	355.06	11.69	-17.18
COC1=CC=CC(F)=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836785	0	40	0.0	-24.43	337.93	9.72	-14.71
CCCOC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(C)=C1	REAL300011836786	0	49	0.0	-25.06	388.34	11.85	-13.21
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC2=CC=NC=C2S1	REAL300011836787	0	38	0.0	-25.90	336.57	10.09	-15.81
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=C2CCCN2N=C1	REAL300011836788	0	40	0.0	-34.53	335.02	8.55	-25.98
CCC1=C2OC(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])=CC2=CC=C1	REAL300011836789	0	45	0.0	-33.50	380.65	11.94	-21.56
C=CCCN1C=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])N=N1	REAL300011836790	0	42	0.0	-39.06	362.40	8.65	-30.41
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=NN1CC1CC1	REAL300011836791	0	43	0.0	-35.18	347.56	9.70	-25.48
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC(OC2CC2)=C1F	REAL300011836792	0	44	0.0	-28.77	375.78	10.99	-17.78
CCOC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(C)=C1	REAL300011836793	0	46	0.0	-29.42	376.04	10.83	-18.59
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC(F)=C1OC(F)F	REAL300011836794	0	40	0.0	-29.81	354.07	9.70	-20.11
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC(F)=CC=C1OC(F)F	REAL300011836795	0	40	0.0	-25.96	348.74	10.04	-15.92
COC1=NC=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836796	0	39	0.0	-29.57	330.27	7.09	-22.48
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC(C2CCCC2)=C1	REAL300011836797	0	49	0.0	-28.73	392.77	13.15	-15.58
CN1C=C(C2=NN(C)C=C2C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=N1	REAL300011836798	0	46	0.0	-32.14	392.94	8.99	-23.15
COCC1=CSC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836799	0	40	0.0	-25.31	349.95	9.16	-16.15
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN(C2CCC2)N=N1	REAL300011836800	0	42	0.0	-38.19	352.05	8.46	-29.73
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CSC(C(F)(F)F)=C1	REAL300011836801	0	36	0.0	-30.66	340.47	10.13	-20.53
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(C(F)(F)F)O1	REAL300011836802	0	36	0.0	-23.90	326.34	9.69	-14.21
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=C(C(F)(F)F)SC=C1	REAL300011836803	0	36	0.0	-26.37	330.94	10.07	-16.30
CN(C)C1=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=CC(F)=C1F	REAL300011836804	0	44	0.0	-33.29	368.16	10.02	-23.27
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=C(F)C=CC(F)=C1Cl	REAL300011836805	0	36	0.0	-28.93	335.02	10.49	-18.44
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(OC2CCOC2)C=C1	REAL300011836806	0	48	0.0	-34.09	395.19	9.64	-24.45
CN(C)C1=CC(F)=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1F	REAL300011836807	0	44	0.0	-28.96	376.25	9.45	-19.51
COC(=O)C1=C2CCCCN2C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836808	0	50	0.0	-31.27	411.52	11.73	-19.54
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(F)C(F)=C1F	REAL300011836809	0	36	0.0	-29.16	327.98	10.04	-19.12
COC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300011836810	0	43	0.0	-27.71	372.66	10.62	-17.09
COC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1OC1CC1	REAL300011836811	0	48	0.0	-33.49	398.31	10.82	-22.67
CCCN1N=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836812	0	42	0.0	-29.86	350.02	9.15	-20.71
CN1N=C(C(F)(F)F)C=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836813	0	39	0.0	-33.83	350.52	8.50	-25.33
COCC(C)OC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836814	0	50	0.0	-32.47	413.14	10.12	-22.35
CCCC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])S1	REAL300011836815	0	42	0.0	-29.19	362.80	11.38	-17.81
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(C2=CC=CS2)C=C1	REAL300011836816	0	43	0.0	-32.00	377.55	12.66	-19.34
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=NN1CCC1=CC=CC=C1	REAL300011836817	0	49	0.0	-29.19	405.32	12.03	-17.16
CC(C)C1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836818	0	45	0.0	-29.83	370.04	11.92	-17.91
CN1C=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(Cl)=N1	REAL300011836819	0	36	0.0	-35.20	329.27	8.20	-27.00
COC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1C(C)(C)C	REAL300011836820	0	52	0.0	-30.35	409.20	11.93	-18.42
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC(CC2CCC2)=C1	REAL300011836821	0	49	0.0	-29.09	399.58	13.46	-15.63
CC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=NC=C1Br	REAL300011836822	0	38	0.0	-26.88	345.63	9.22	-17.66
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=C(O)C=CC=C1Br	REAL300011836823	0	37	0.0	-31.41	336.16	7.67	-23.74
CN1C=C(C2=NC(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])=CS2)C=N1	REAL300011836824	0	42	0.0	-26.20	373.93	8.92	-17.28
COC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CC=C1Cl	REAL300011836825	0	40	0.0	-32.06	354.06	9.80	-22.26
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=NN1CC1CCC1	REAL300011836826	0	46	0.0	-23.90	366.23	10.58	-13.32
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1	REAL300011836827	0	42	0.0	-39.99	369.17	9.88	-30.11
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC=C1CC(F)(F)F	REAL300011836828	0	42	0.0	-31.36	356.96	11.35	-20.01
CN1C=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(Br)=N1	REAL300011836829	0	36	0.0	-34.17	333.32	8.29	-25.88
CC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(F)=C1	REAL300011836830	0	39	0.0	-27.08	336.82	10.69	-16.39
CC(=O)NC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836831	0	43	0.0	-35.25	364.34	8.86	-26.39
CN1N=CC2=CC(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])=CN=C21	REAL300011836832	0	41	0.0	-38.29	355.14	9.02	-29.27
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=NC=C(Br)C=C1F	REAL300011836833	0	35	0.0	-29.39	331.52	8.78	-20.61
COC1=CC(Cl)=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1OC	REAL300011836834	0	44	0.0	-28.32	380.39	9.67	-18.65
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(CC(F)(F)F)C=C1	REAL300011836835	0	42	0.0	-32.91	370.83	11.78	-21.13
CN1N=C2CCCCC2=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836836	0	46	0.0	-29.68	372.67	9.94	-19.74
CCOC(=O)C1=C(C)C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C(C)N1	REAL300011836837	0	49	0.0	-35.23	408.20	10.33	-24.90
CC1=C(C)C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CS1	REAL300011836838	0	39	0.0	-27.99	335.13	10.28	-17.71
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN=C(Cl)C(F)=C1	REAL300011836839	0	35	0.0	-29.05	322.02	9.02	-20.03
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=C(Br)SC=C1	REAL300011836840	0	33	0.0	-21.32	312.37	9.99	-11.33
CCOC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C(F)C=C1OC	REAL300011836841	0	47	0.0	-32.70	392.76	10.08	-22.62
COC1=NC=C(Br)C=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836842	0	39	0.0	-30.82	356.89	7.37	-23.45
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(F)C2=CC=CC=C12	REAL300011836843	0	42	0.0	-30.45	352.97	12.08	-18.37
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CN=C1Br	REAL300011836844	0	35	0.0	-26.14	321.34	8.56	-17.58
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC(F)=C1OC(F)(F)F	REAL300011836845	0	40	0.0	-35.94	360.82	9.99	-25.95
CC(C)OC1=CC=C(F)C=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836846	0	46	0.0	-25.84	379.12	11.33	-14.51
CCOC1=CC(F)=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836847	0	43	0.0	-31.82	368.67	10.18	-21.64
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(C(=O)N2CCCC2)C=C1	REAL300011836848	0	50	0.0	-35.37	404.53	10.96	-24.41
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(OC(F)F)C=C1F	REAL300011836849	0	40	0.0	-29.74	354.66	9.58	-20.16
CC(C)(C)OC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836850	0	49	0.0	-32.46	390.45	11.15	-21.31
CC1=C(Cl)C=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836851	0	39	0.0	-30.18	335.60	10.96	-19.22
COC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C(F)C=C1C	REAL300011836852	0	43	0.0	-26.74	362.63	10.03	-16.71
CC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(C)=C1Br	REAL300011836853	0	42	0.0	-27.89	360.94	11.68	-16.21
CC1=CC=NC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1Br	REAL300011836854	0	38	0.0	-29.08	341.51	9.23	-19.85
CC(C)(C)C1=CSC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=N1	REAL300011836855	1	44	0.0	-27.03	375.43	9.70	-17.33
COCCC1=NC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])S1	REAL300011836856	0	42	0.0	-30.70	370.38	7.73	-22.97
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC(F)=CC(F)=C1O	REAL300011836857	1	37	0.0	-28.71	329.96	7.26	-21.45
CN1N=C2CCSCC2=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836858	0	44	0.0	-25.09	367.99	9.97	-15.12
CCN1C=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300011836859	0	49	0.0	-28.49	410.73	12.00	-16.49
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC2=C1CCOC2	REAL300011836860	0	44	0.0	-24.88	348.75	10.22	-14.66
COCC1=C(C)C=C(C)C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1C	REAL300011836861	0	52	0.0	-28.85	408.07	11.12	-17.73
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C2OC(=O)OC2=C1	REAL300011836862	0	38	0.0	-35.72	336.29	10.50	-25.22
CC1=C(Br)C=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])S1	REAL300011836863	0	36	0.0	-29.56	343.41	10.37	-19.19
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC2=NC=CC=C12	REAL300011836864	0	41	0.0	-30.43	344.66	10.19	-20.24
CCCOC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1C	REAL300011836865	0	49	0.0	-30.62	401.45	11.72	-18.90
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC2=NC=CN=C2C=C1	REAL300011836866	0	40	0.0	-35.90	344.57	8.37	-27.53
COC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1CN1C=CC=N1	REAL300011836867	0	50	0.0	-36.16	420.74	10.94	-25.22
CCOC1=CC=CC(F)=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836868	0	43	0.0	-28.31	366.16	10.18	-18.13
CC1=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300011836869	0	41	0.0	-37.14	342.16	10.95	-26.19
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836870	0	44	0.0	-34.84	365.10	11.51	-23.33
COC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(F)=C1OC	REAL300011836871	0	44	0.0	-39.22	378.86	9.21	-30.01
COC(=O)C1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(F)=C1	REAL300011836872	0	42	0.0	-30.67	370.18	10.67	-20.00
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC(OC2=CC=CC=N2)=C1	REAL300011836873	0	46	0.0	-31.80	390.83	10.72	-21.08
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC(COC2=CC=CC=C2)=C1	REAL300011836874	0	50	0.0	-33.49	419.80	13.22	-20.27
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC=C1OCC(F)F	REAL300011836875	0	43	0.0	-31.44	372.72	10.59	-20.85
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(Cl)C=N1	REAL300011836876	0	35	0.0	-27.22	322.56	8.53	-18.69
CC1=NN(C2=CC=CC=C2C)C(C)=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836877	0	52	0.0	-32.32	427.79	12.95	-19.37
CC1=CC(C#N)=CC(C)=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836878	0	43	0.0	-31.74	363.52	11.42	-20.32
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN(CCF)N=C1	REAL300011836879	0	39	0.0	-26.95	335.38	9.14	-17.81
CCCC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836881	0	45	0.0	-29.69	374.23	12.21	-17.48
CC1=C2C=C(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])C=NC2=NN1	REAL300011836882	0	41	0.0	-42.62	352.92	8.50	-34.12
CS(=O)(=O)NC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836883	0	44	0.0	-38.15	383.42	6.71	-31.44
CN1N=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C2=CC=CC=C21	REAL300011836884	0	42	0.0	-33.36	360.77	9.79	-23.57
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=C2C=CC=CC2=NN1	REAL300011836885	0	39	0.0	-33.13	337.71	8.48	-24.65
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=NNC2=CC=CC=C21	REAL300011836885	1	39	0.0	-27.48	335.52	8.57	-18.91
CN1C(Cl)=NC(Cl)=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836886	0	36	0.0	-32.37	341.16	9.20	-23.17
CCC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])S1	REAL300011836887	0	39	0.0	-30.29	343.44	10.67	-19.62
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=NC=CC2=CC=CC=C21	REAL300011836888	0	41	0.0	-26.97	345.35	10.21	-16.76
CC1=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])N2C=CC=CC2=N1	REAL300011836889	0	42	0.0	-26.85	351.80	11.32	-15.53
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836890	0	56	0.0	-30.31	429.99	12.06	-18.25
CCC1=NC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])S1	REAL300011836891	0	38	0.0	-30.43	338.00	8.71	-21.72
COC1=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])SC=C1	REAL300011836892	0	37	0.0	-27.75	327.81	8.32	-19.43
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC(C2=CC=CC=N2)=NN1	REAL300011836893	0	42	0.0	-28.12	360.61	8.56	-19.56
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CSC=C1Cl	REAL300011836894	0	33	0.0	-26.23	314.54	9.39	-16.84
CC1=NN2C(=NC(C)=C2C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])S1	REAL300011836895	0	41	0.0	-31.69	358.79	9.51	-22.18
CC1=NN2C(=NC(C(C)C)=C2C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])S1	REAL300011836896	0	47	0.0	-28.70	402.20	10.33	-18.37
CCCC(C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-])C1=CC=CC=C1	REAL300011836897	0	48	0.0	-27.24	382.13	13.02	-14.22
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=C(Cl)C=CC2=CC=CN=C21	REAL300011836898	0	41	0.0	-29.97	362.25	10.87	-19.10
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1CC2CCC1C2	REAL300011836899	0	43	0.0	-30.25	334.18	10.65	-19.60
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(F)N=C1	REAL300011836900	0	35	0.0	-35.68	311.11	8.15	-27.53
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(C(F)(F)F)S1	REAL300011836901	0	36	0.0	-24.56	335.29	10.64	-13.92
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1(C(F)F)CC1	REAL300011836902	0	36	0.0	-32.89	313.21	9.34	-23.55
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836903	0	46	0.0	-37.64	391.98	12.66	-24.98
CC1=CN=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])N1C	REAL300011836904	0	39	0.0	-34.94	330.18	8.83	-26.11
CC(C)C1CCC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])CC1	REAL300011836905	0	51	0.0	-31.46	375.88	11.73	-19.73
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300011836906	0	39	0.0	-26.46	368.41	11.29	-15.17
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836907	0	47	0.0	-36.14	395.15	11.39	-24.75
COCC1=CC=CC=C1C=C(C)C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836908	0	50	0.0	-32.97	408.39	11.59	-21.38
CN1N=CC=C1C1=CC=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836909	0	46	0.0	-28.95	373.86	11.01	-17.94
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CON=C1CC1=CC=CC=C1	REAL300011836910	0	45	0.0	-33.82	386.29	11.60	-22.22
CCC1=NOC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836911	0	38	0.0	-30.89	327.22	8.75	-22.14
CN1N=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1Cl	REAL300011836912	0	36	0.0	-26.19	323.08	8.47	-17.72
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC2=CC=CN=C2O1	REAL300011836913	0	38	0.0	-31.79	333.49	7.35	-24.44
COC1=CC=C(N2C=C(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])C=N2)C=C1	REAL300011836914	0	47	0.0	-33.35	398.18	10.50	-22.85
CC1=CN=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836915	0	38	0.0	-30.45	317.90	8.61	-21.84
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC2=CC(Cl)=CN=C2O1	REAL300011836916	0	38	0.0	-30.55	350.25	7.84	-22.71
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]C[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300011836917	0	43	0.0	-33.46	358.38	12.12	-21.34
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=NC=C1Br	REAL300011836918	0	35	0.0	-25.84	321.63	8.67	-17.17
CS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])S1	REAL300011836919	0	39	0.0	-31.32	357.51	7.02	-24.30
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=NN1C1=CC=CC=N1	REAL300011836920	0	42	0.0	-25.74	356.63	11.02	-14.72
NS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(F)=C1	REAL300011836921	0	41	0.0	-40.82	366.45	4.91	-35.91
CC(C)N1C=CN=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836923	0	42	0.0	-33.61	350.72	9.80	-23.81
CC1=C(Br)C=NC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836924	0	38	0.0	-24.96	329.23	9.56	-15.40
CN1N=CC(C(F)(F)F)=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836925	0	39	0.0	-21.32	341.09	8.89	-12.43
CN1N=CC(C2CC2)=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836926	0	43	0.0	-30.27	360.58	9.64	-20.63
CN1N=CC(C2CCC2)=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836927	0	46	0.0	-30.02	376.94	10.14	-19.88
CC1=NC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])N1C	REAL300011836928	0	39	0.0	-33.71	329.06	8.91	-24.80
CC1=C2C=C(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])NC2=CC=C1	REAL300011836929	0	43	0.0	-31.48	363.66	10.45	-21.03
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=NN1C1=CC=NC=C1	REAL300011836930	0	42	0.0	-31.98	359.96	9.09	-22.89
CC1=CC=C2C=C(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])NC2=C1	REAL300011836931	0	43	0.0	-30.73	363.12	10.59	-20.14
CC1=NC=CN=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836932	0	37	0.0	-33.74	317.81	6.67	-27.07
CCOC1=CN=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836933	0	42	0.0	-31.67	354.81	8.35	-23.32
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=NC=C1Cl	REAL300011836934	0	35	0.0	-26.49	318.04	8.57	-17.92
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=NN1C1CCOCC1	REAL300011836935	0	47	0.0	-29.57	381.34	8.47	-21.10
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC2=NNC=C21	REAL300011836936	0	39	0.0	-31.94	335.95	8.70	-23.24
CCC(F)(F)C(C)(C)C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836937	0	44	0.0	-33.30	346.46	10.12	-23.18
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=NC(F)=C1	REAL300011836938	0	35	0.0	-32.36	309.83	8.12	-24.24
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C2C=CNC2=C1	REAL300011836939	0	40	0.0	-31.79	339.91	9.98	-21.81
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC2=C(C=CNC2=O)O1	REAL300011836940	0	39	0.0	-38.56	342.48	7.47	-31.09
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(C(F)F)N=C1	REAL300011836941	0	38	0.0	-32.52	337.13	9.00	-23.52
CN(C)C1=CC=C(C#N)C=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836942	0	45	0.0	-32.29	382.67	10.30	-21.99
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN(CC2CCOC2)N=N1	REAL300011836943	0	46	0.0	-42.45	384.31	7.43	-35.02
COC1=CN=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1C	REAL300011836944	0	42	0.0	-30.70	346.22	7.94	-22.76
CC1=CC(C)=C(C=CC[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(C)=C1	REAL300011836945	0	49	0.0	-32.13	400.23	13.16	-18.97
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN(CC2CCCO2)N=N1	REAL300011836946	0	46	0.0	-40.93	384.87	7.57	-33.36
CCCN1C=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])N=N1	REAL300011836947	0	41	0.0	-38.84	348.27	8.06	-30.78
CN(C)C1=CC=C(F)C=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836948	0	44	0.0	-28.47	368.46	9.95	-18.52
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN(C2CC2)C=N1	REAL300011836949	0	40	0.0	-34.52	339.91	10.59	-23.93
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC2=CC=CC(F)=C2N=C1	REAL300011836950	0	41	0.0	-33.48	355.11	10.35	-23.13
CC1=CC(C)=C(C=CC[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1C	REAL300011836951	0	49	0.0	-30.98	394.61	12.93	-18.05
CC1=NSC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836952	0	35	0.0	-29.26	315.08	8.37	-20.89
NS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836953	0	41	0.0	-38.08	364.08	4.95	-33.13
CCN1N=CN=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836954	0	38	0.0	-26.81	324.21	9.04	-17.77
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN=C(C2CC2)O1	REAL300011836955	1	39	0.0	-32.68	338.52	7.29	-25.39
CCC1=CNC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=N1	REAL300011836956	0	39	0.0	-23.67	327.21	8.40	-15.27
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=NC=CC2=C1CCCC2	REAL300011836957	0	45	0.0	-31.18	361.50	10.45	-20.73
CC1=NN(C)C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1Cl	REAL300011836958	0	39	0.0	-31.50	348.95	8.64	-22.86
CN1C=CC(C2=NC(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])=CS2)=N1	REAL300011836959	0	42	0.0	-40.80	378.16	8.42	-32.38
CN1C=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(C2CCCC2)=N1	REAL300011836960	0	49	0.0	-32.61	397.32	10.88	-21.73
CC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1Br	REAL300011836961	0	39	0.0	-25.85	344.30	11.11	-14.74
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC(OC2=CC=C(F)C=C2)=C1	REAL300011836962	0	47	0.0	-32.17	402.82	12.83	-19.34
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C2OCCCC2=C1	REAL300011836963	0	44	0.0	-31.22	362.23	10.58	-20.64
CN(C)C(=O)C1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836964	0	46	0.0	-40.55	382.20	9.88	-30.67
CCC1=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(Cl)=NN1	REAL300011836965	0	39	0.0	-22.04	341.89	8.44	-13.60
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=C(C2CC2)NN=C1Cl	REAL300011836966	0	40	0.0	-32.26	356.17	8.95	-23.31
CCC1=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(C)=NO1	REAL300011836967	0	41	0.0	-30.14	341.69	9.33	-20.81
CCN1C=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])N=N1	REAL300011836968	0	38	0.0	-39.69	328.09	7.33	-32.36
CC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C2CCCCC2=N1	REAL300011836969	0	48	0.0	-30.48	382.46	11.17	-19.31
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC=C1N1CCCCC1	REAL300011836970	0	51	0.0	-26.86	400.00	11.85	-15.01
CCOC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])O1	REAL300011836971	0	40	0.0	-32.22	345.42	9.50	-22.72
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CSC(C(F)(F)F)=N1	REAL300011836972	0	35	0.0	-36.56	334.13	8.06	-28.50
CCN1C=NC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836973	0	39	0.0	-34.57	331.59	10.08	-24.49
CC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CN=C1F	REAL300011836974	0	38	0.0	-36.48	332.47	8.65	-27.83
CC1=CC(F)=NC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836975	0	38	0.0	-25.81	317.31	8.99	-16.82
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(C(F)F)C(F)=C1	REAL300011836976	0	39	0.0	-38.91	347.96	10.92	-27.99
COC(=O)C1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1C	REAL300011836977	0	45	0.0	-34.11	379.23	11.15	-22.96
COC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(C)=C1	REAL300011836978	0	43	0.0	-25.47	344.99	10.12	-15.35
CC1=C(Cl)C=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1Cl	REAL300011836979	0	39	0.0	-26.14	355.35	11.45	-14.69
N#CC1=CC=C(Br)C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836980	0	37	0.0	-26.28	340.67	11.30	-14.98
CC1CC2=CC(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])=CC=C2O1	REAL300011836981	0	44	0.0	-31.12	364.58	10.49	-20.63
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC2=C1OC(=O)N2	REAL300011836982	0	39	0.0	-44.31	342.59	7.36	-36.95
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC2=C1OCC2	REAL300011836983	0	41	0.0	-28.58	345.59	9.81	-18.77
CSCC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836984	0	43	0.0	-30.74	373.82	11.80	-18.94
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN(CC2CCC2)N=C1	REAL300011836985	0	46	0.0	-30.78	382.10	10.74	-20.04
CN1N=C2CCOCC2=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836986	0	44	0.0	-31.66	365.16	7.59	-24.07
CN1N=C2CCCC2=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836987	0	43	0.0	-31.26	355.76	9.43	-21.83
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=NN1C1CCC1	REAL300011836988	0	43	0.0	-26.64	353.21	10.12	-16.52
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN(C2CCC2)N=C1	REAL300011836989	0	43	0.0	-25.73	352.59	10.12	-15.61
COC(=O)C(C)OC1=CC=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836990	0	49	0.0	-32.88	412.13	11.54	-21.34
COC(=O)COC1=CC=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836991	0	46	0.0	-32.41	394.37	10.94	-21.47
COC1=CC=C(C)C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836992	0	43	0.0	-28.00	351.79	9.68	-18.32
CN1C=NC2=CC=CC(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])=C21	REAL300011836993	0	42	0.0	-29.27	341.33	11.45	-17.82
CCC1=CC=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836994	0	42	0.0	-23.22	334.31	11.49	-11.73
CN(C)C(=O)C1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836995	0	46	0.0	-35.65	377.13	10.07	-25.58
CC1=CC(F)=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836996	0	39	0.0	-29.08	336.34	10.68	-18.40
CC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(C)=C1C	REAL300011836997	0	45	0.0	-28.70	359.39	11.71	-16.99
CCNC(=O)C1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836998	0	46	0.0	-34.40	385.65	9.04	-25.36
CC(C)(C)C1=CC=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836999	0	48	0.0	-21.43	351.88	12.24	-9.19
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN=C2CCCCCN12	REAL300011837000	0	46	0.0	-33.51	366.89	10.26	-23.25