CC(CCC(=O)[O-])C1=CC=C(C2=CC=C(OCCC[NH+]3CCCC3)C=C2)C=C1	REAL300012108051	0	59	0.0	-74.72	447.33	14.69	-60.03
CC(CCC(=O)[O-])C1=CC=C(C2=CC=CC(C[NH+]3CCCC3)=C2)C=C1	REAL300012108063	0	52	0.0	-69.12	393.22	14.17	-54.95
CC(CCC(=O)[O-])C1=CC=C(C2=CN=CC(OCCC[NH+]3CCCC3)=C2)C=C1	REAL300012108088	0	58	0.0	-73.89	442.46	12.88	-61.01
CC(CCC(=O)[O-])C1=CC=C(C2=CC=CC(C[NH+]3CCOCC3)=C2)C=C1	REAL300012108102	1	53	0.0	-75.84	401.86	12.51	-63.33
CC(CCC(=O)[O-])C1=CC=C(C2=CC=C(N3CC[C@@H](O)C3)[NH+]=C2)C=C1	REAL300012108125	1	49	0.0	-64.82	374.29	7.87	-56.95
CC1=CC=C(C(=O)[O-])C=C1C1=CN=C(OCCC[NH+](C)C)C(C)=C1	REAL300012109009	0	48	0.0	-76.65	381.64	9.56	-67.09
CC1=CC=C(C(=O)[O-])C=C1C1=CC=CC(C[NH+]2CCC(O)CC2)=C1	REAL300012109099	0	47	0.0	-72.93	365.47	9.58	-63.35
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C2C=CN(CC[NH+](C)C)C2=C1	REAL300012109124	0	46	0.0	-69.55	366.57	13.07	-56.48
CC1=CC=C(C(=O)[O-])C=C1C1=C2C=CN(CC[NH+]3CCCC3)C2=CC=C1	REAL300012109125	0	50	0.0	-88.24	393.02	14.20	-74.04
CC[N@@H+]1CCC2=CC(C3=CC(C(=O)[O-])=CC=C3C)=CC(F)=C2C1	REAL300012109235	0	43	0.0	-74.10	337.82	12.14	-61.96
CC[N@H+]1CCC2=CC(C3=CC(C(=O)[O-])=CC=C3C)=CC(F)=C2C1	REAL300012109235	1	43	0.0	-73.62	337.78	12.14	-61.48
O=C([O-])C1=CC=C(CO)C(C2=CC=C(CC[NH+]3CCOCC3)C=C2)=C1	REAL300012109260	0	48	0.0	-83.29	375.88	8.16	-75.13
N#CCCC(NC1=CC(N2CCSCC2)=NC=[NH+]1)C(=O)[O-]	REAL300013385006	0	38	0.0	-47.72	323.12	8.03	-39.69
N#CCCC(NC1=CC(N2CCSCC2)=[NH+]C=N1)C(=O)[O-]	REAL300013385006	1	38	0.0	-50.73	322.38	7.56	-43.17
N#CCCC(NC1=CC(N2CCCC(CO)C2)=NC=[NH+]1)C(=O)[O-]	REAL300013385010	0	44	0.0	-51.50	354.91	5.40	-46.10
N#CCCC(NC1=CC(N2CCCC(CO)C2)=[NH+]C=N1)C(=O)[O-]	REAL300013385010	1	44	0.0	-54.42	353.31	5.23	-49.19
COC1=CC2=NC(NC(CCC#N)C(=O)[O-])=[NH+]C(N)=C2C=C1OC	REAL300013385020	0	41	0.0	-44.46	344.51	6.74	-37.72
CC1=CC(N2CCSCC2)=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013458043	1	55	0.0	-37.67	422.21	8.20	-29.47
CC(C)OC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(F)=C1	REAL300013458117	1	49	0.0	-36.29	382.42	7.12	-29.17
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013458202	1	56	0.0	-43.57	421.81	8.00	-35.57
CCC(C)SC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(C)=C1	REAL300013458279	1	55	0.0	-37.20	427.83	10.26	-26.94
CCOC(=O)C1=CC(OC)=C(F)C=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013458359	1	52	0.0	-37.49	414.37	7.45	-30.04
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC(F)=C(Br)C=C2F)CC1	REAL300013458451	1	39	0.0	-36.25	339.29	6.94	-29.31
CC[NH+](CC)CCNC(=O)C1=CC(NC(=O)N(C)CCC(=O)[O-])=CC=C1Cl	REAL300013458488	0	54	0.0	-63.98	427.17	7.93	-56.05
CC[NH+](CC)CCNC(=O)C1=CC(NC(=O)NCCC(=O)[O-])=CC=C1Cl	REAL300013458489	0	51	0.0	-62.92	409.60	5.58	-57.34
CC[NH+](CC)CCNC(=O)C1=CC(NC(=O)NCCCC(=O)[O-])=CC=C1Cl	REAL300013458490	0	54	0.0	-66.75	435.85	6.59	-60.16
CC[NH+](CC)CCNC(=O)C1=CC(NC(=O)NCC(C)C(=O)[O-])=CC=C1Cl	REAL300013458491	0	54	0.0	-63.42	428.14	6.33	-57.09
CN1C(=O)OC2=C(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C=CC=C21	REAL300013458530	1	45	0.0	-41.93	361.43	6.08	-35.85
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC3=C2OCCC3=O)CC1	REAL300013477048	1	46	0.0	-40.19	361.40	6.03	-34.16
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(Cl)C(OC(F)F)=C2)CC1	REAL300013477137	1	43	0.0	-38.57	362.14	6.25	-32.32
N#CC1=CC(F)=CC=C1N1C=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=N1	REAL300013477219	1	47	0.0	-44.33	388.39	8.82	-35.51
CSCC1=CC=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013493072	1	46	0.0	-36.39	369.12	8.17	-28.22
COC(=O)C(C)CC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013493157	1	54	0.0	-39.95	422.10	8.84	-31.11
COC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1OC(C)C	REAL300013493318	1	53	0.0	-40.20	406.28	6.92	-33.28
CS(=O)CC1=CC=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013493465	1	47	0.0	-43.55	376.79	5.71	-37.84
CC1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC=C1C1=CC=CC=C1	REAL300013493551	1	52	0.0	-37.62	402.87	10.20	-27.42
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(Cl)C=C2OC(F)F)CC1	REAL300013493637	1	43	0.0	-38.59	361.67	6.36	-32.23
COC1=CC=CC([C@@H]2[C@@H](NC(=O)NCCCCC(=O)[O-])CC[N@@H+]2C2CC2)=C1	REAL300013685003	0	56	0.0	-73.91	433.05	7.78	-66.13
COC1=CC=CC([C@@H]2[C@@H](NC(=O)NCCCCC(=O)[O-])CC[N@H+]2C2CC2)=C1	REAL300013685003	1	56	0.0	-74.92	436.49	8.36	-66.56
COCC(COC)[NH+]1CCN(C(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013716001	1	52	0.0	-74.22	383.42	6.16	-68.06
CN(CCC[NH+](C)C)CCNC(=O)NCC(C)(C)C(=O)[O-]	REAL300013716011	0	51	0.0	-77.67	384.71	3.81	-73.86
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013716012	1	45	0.0	-83.72	343.99	6.42	-77.30
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013716012	1	45	0.0	-85.10	343.54	6.89	-78.21
CC(C)(CNC(=O)N1CC[NH+](CCC2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300013716015	1	51	0.0	-87.46	392.55	9.91	-77.55
C[NH+](C)CCN1CCN(C(=O)NCC(C)(C)C(=O)[O-])CC1=O	REAL300013716043	0	48	0.0	-75.99	365.38	5.84	-70.15
CC(C)C1CN(C(=O)NCC(C)(C)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013716047	0	57	0.0	-77.75	403.50	10.10	-67.65
CC(C)C1CN(C(=O)NCC(C)(C)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013716047	1	57	0.0	-74.54	412.64	10.63	-63.91
C[NH+]1CCC(CNC(=O)NCC(C)(C)C(=O)[O-])(N2CCOCC2)CC1	REAL300013716064	0	57	0.0	-77.60	399.99	3.24	-74.36
CC[NH+]1CCC(N2CCCN(C(=O)NCC(C)(C)C(=O)[O-])CC2)CC1	REAL300013716067	0	59	0.0	-76.29	412.34	8.27	-68.02
CCN1CCC([N@@H+]2CCCN(C(=O)NCC(C)(C)C(=O)[O-])CC2)CC1	REAL300013716067	1	59	0.0	-79.50	408.80	7.60	-71.90
CCN1CCC([N@H+]2CCCN(C(=O)NCC(C)(C)C(=O)[O-])CC2)CC1	REAL300013716067	1	59	0.0	-77.04	410.26	7.81	-69.23
CC(C)(CNC(=O)N1CCCC([NH2+]C2CCOCC2)C1)C(=O)[O-]	REAL300013716090	0	52	0.0	-78.21	377.01	5.33	-72.88
CC(C)(CNC(=O)NCC1=CC=C(C[NH+]2CCC(C(N)=O)CC2)C=C1)C(=O)[O-]	REAL300013716091	0	58	0.0	-91.85	447.01	5.57	-86.28
C[NH+](C)CC(NC(=O)NCC(C)(C)C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300013716092	0	50	0.0	-76.58	404.65	9.00	-67.58
CC(C)(CNC(=O)NCC1CCC[N@H+](CC2CC2)C1)C(=O)[O-]	REAL300013716102	0	51	0.0	-72.69	376.28	7.54	-65.15
CC(C)(CNC(=O)NCC1CCC[N@@H+](CC2CC2)C1)C(=O)[O-]	REAL300013716102	1	51	0.0	-75.94	381.99	7.54	-68.40
COC(=O)C1CN(C(=O)NCC(C)(C)C(=O)[O-])CC[N@H+](C)C1	REAL300013716135	0	47	0.0	-77.18	352.24	6.94	-70.24
COC(=O)C1CN(C(=O)NCC(C)(C)C(=O)[O-])CC[N@@H+](C)C1	REAL300013716135	1	47	0.0	-77.10	351.53	6.93	-70.17
CO[C@H]1C[C@@H](CNC(=O)NCC(C)(C)C(=O)[O-])[N@H+](CC2=CC=CC=C2)C1	REAL300013716137	0	55	0.0	-76.42	419.30	7.25	-69.17
CO[C@H]1C[C@@H](CNC(=O)NCC(C)(C)C(=O)[O-])[N@@H+](CC2=CC=CC=C2)C1	REAL300013716137	1	55	0.0	-75.12	419.16	6.76	-68.36
CC(C)[NH+]1CCN(C2CCN(C(=O)NCC(C)(C)C(=O)[O-])C2)CC1	REAL300013716141	0	56	0.0	-75.52	400.73	6.19	-69.33
COCC[N@H+]1[C@H](C)CN(C(=O)NCC(C)(C)C(=O)[O-])C[C@@H]1C	REAL300013716183	0	51	0.0	-74.02	363.68	6.23	-67.79
COCC[N@@H+]1[C@H](C)CN(C(=O)NCC(C)(C)C(=O)[O-])C[C@@H]1C	REAL300013716183	1	51	0.0	-74.05	364.10	5.75	-68.30
C[C@@H]1C[N@@H+](CC2=CC=C(CN(C)C(=O)NCC(C)(C)C(=O)[O-])C=C2)C[C@H](C)O1	REAL300013716198	0	61	0.0	-77.01	455.52	10.38	-66.63
C[C@@H]1C[N@H+](CC2=CC=C(CN(C)C(=O)NCC(C)(C)C(=O)[O-])C=C2)C[C@H](C)O1	REAL300013716198	1	61	0.0	-77.50	461.29	10.38	-67.12
CC1C(=O)N(CC[NH+](C)C)CN1C(=O)NCC(C)(C)C(=O)[O-]	REAL300013716233	0	48	0.0	-81.55	372.09	6.30	-75.25
C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013716234	0	54	0.0	-77.08	404.59	4.93	-72.15
CC(C)(CNC(=O)NCC1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300013716237	0	47	0.0	-76.96	380.73	6.19	-70.77
CC(C)(CNC(=O)NC1(C2=CC=CC=C2)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013716238	0	58	0.0	-83.46	440.06	10.50	-72.96
CC(C)(CNC(=O)NC1(C2=CC=CC=C2)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013716238	1	58	0.0	-83.05	441.44	10.63	-72.42
CC(C)(CNC(=O)N1CC2=CC=C[NH+]=C2N2C[C@H](O)C[C@H]2C1)C(=O)[O-]	REAL300013716252	1	49	0.0	-73.23	366.24	3.98	-69.25
CO[C@@H]1C[C@@H]2CN(C(=O)NCC(C)(C)C(=O)[O-])CC3=CC=C[NH+]=C3N2C1	REAL300013716253	1	52	0.0	-74.99	387.94	6.50	-68.49
COC1CC2CN(C(=O)NCC(C)(C)C(=O)[O-])CC3=CC=C[NH+]=C3N2C1	REAL300013716262	1	52	0.0	-71.30	388.18	6.38	-64.92
CC(C)(CNC(=O)N1CC2=CC=C[NH+]=C2N2CCC[C@@H]2C1)C(=O)[O-]	REAL300013716274	1	48	0.0	-72.06	355.15	7.44	-64.62
CC(C)(CNC(=O)N1CC2=CC=C[NH+]=C2N2CCC[C@H]2C1)C(=O)[O-]	REAL300013716275	1	48	0.0	-71.84	355.62	7.49	-64.35
CC(C)(CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)C(=O)[O-]	REAL300013716280	0	48	0.0	-79.11	372.53	2.16	-76.95
CC(C)(CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)C(=O)[O-]	REAL300013716280	1	48	0.0	-83.19	366.69	1.65	-81.54
C[N@@H+]1C[C@@H](CNC(=O)NCC(C)(C)C(=O)[O-])[C@H](C2=CC=CC=C2)C1	REAL300013716285	0	51	0.0	-79.61	392.41	8.03	-71.58
C[N@H+]1C[C@@H](CNC(=O)NCC(C)(C)C(=O)[O-])[C@H](C2=CC=CC=C2)C1	REAL300013716285	1	51	0.0	-83.26	393.42	7.96	-75.30
CCO[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1CNC(=O)NCC(C)(C)C(=O)[O-]	REAL300013716290	0	58	0.0	-80.12	449.42	8.17	-71.95
CCO[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1CNC(=O)NCC(C)(C)C(=O)[O-]	REAL300013716290	1	58	0.0	-78.29	448.62	8.12	-70.17
CN1C=NC=C1[C@@H]1[C@@H](CNC(=O)NCC(C)(C)C(=O)[O-])CCC[N@@H+]1C1CC1	REAL300013716303	0	58	0.0	-79.79	425.78	8.22	-71.57
CN1C=NC=C1[C@@H]1[C@@H](CNC(=O)NCC(C)(C)C(=O)[O-])CCC[N@H+]1C1CC1	REAL300013716303	1	58	0.0	-77.10	426.58	8.89	-68.21
C[NH+](C)CC1=C2CN(C(=O)NCC(C)(C)C(=O)[O-])CCN2N=C1	REAL300013716311	0	48	0.0	-80.43	365.97	6.60	-73.83
CC(C)(CNC(=O)N[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(F)(F)F)C(=O)[O-]	REAL300013716322	1	51	0.0	-83.19	410.43	8.45	-74.74
CC(C)(CNC(=O)N[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(F)(F)F)C(=O)[O-]	REAL300013716322	1	51	0.0	-83.31	410.88	8.51	-74.80
C[NH+]1CC23CN(C(=O)NCC(C)(C)C(=O)[O-])CC2(C1)CCCC3	REAL300013716389	0	52	0.0	-73.68	371.45	7.92	-65.76
C[NH+](C)CC1=CC=C(CNC(=O)NCC(C)(C)C(=O)[O-])S1	REAL300013716420	0	44	0.0	-78.25	360.40	6.31	-71.94
CC(C)[NH+]1CCN(C2(CNC(=O)NCC(C)(C)C(=O)[O-])CCCC2)CC1	REAL300013716453	0	62	0.0	-73.93	429.74	6.33	-67.60
CC(C)N1CC[NH+](C2(CNC(=O)NCC(C)(C)C(=O)[O-])CCCC2)CC1	REAL300013716453	1	62	0.0	-70.45	431.55	6.43	-64.02
COCC(C)(CNC(=O)NCC(C)(C)C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300013716457	0	62	0.0	-74.38	440.76	5.41	-68.97
CC(C)(CNC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(=O)[O-]	REAL300013716470	0	49	0.0	-74.96	357.95	4.77	-70.19
C[NH+]1CCN(C2=CC=C(CCNC(=O)NCC(C)(C)C(=O)[O-])C=C2)CC1	REAL300013716472	0	56	0.0	-78.87	425.38	6.98	-71.89
CC(C)(CNC(=O)N1CCC2CC[N@H+](CC3=CC=CC=C3)C21)C(=O)[O-]	REAL300013716498	0	52	0.0	-59.50	379.90	9.26	-50.24
CC(C)(CNC(=O)N1CCC2CC[N@@H+](CC3=CC=CC=C3)C21)C(=O)[O-]	REAL300013716498	1	52	0.0	-61.68	385.94	10.13	-51.55
CC(C)(CNC(=O)N1CCCC2(C1)C[N@H+](CC1=CC=CC=C1)CCO2)C(=O)[O-]	REAL300013716503	1	59	0.0	-81.87	430.93	9.87	-72.00
CC(C)(CNC(=O)N1CCCC2(C1)C[N@@H+](CC1=CC=CC=C1)CCO2)C(=O)[O-]	REAL300013716503	1	59	0.0	-81.68	430.42	9.87	-71.81
COC(=O)C1CC([NH+](C)C)CN(C(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013716514	0	50	0.0	-68.55	370.99	7.66	-60.89
CC(C)(CNC(=O)N1CCC(C)([NH+]2CCOCC2)C1)C(=O)[O-]	REAL300013716518	1	49	0.0	-76.11	356.83	5.33	-70.78
CN(C(=O)NCC(C)(C)C(=O)[O-])C(C[NH+](C)C)C1=CC=CC=C1	REAL300013716525	0	50	0.0	-79.51	375.91	9.54	-69.97
CC(C)[N@@H+]1CC[C@@H](NC(=O)NCC(C)(C)C(=O)[O-])[C@@H]1C1=CC=C(F)C(F)=C1	REAL300013716578	1	54	0.0	-80.55	408.16	8.02	-72.53
CC(C)[N@H+]1CC[C@@H](NC(=O)NCC(C)(C)C(=O)[O-])[C@@H]1C1=CC=C(F)C(F)=C1	REAL300013716578	1	54	0.0	-82.09	417.78	8.79	-73.30
CC(C)[N@@H+]1CC[C@@H](NC(=O)NCC(C)(C)C(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300013716580	1	54	0.0	-79.29	418.05	8.47	-70.82
CC(C)[N@H+]1CC[C@@H](NC(=O)NCC(C)(C)C(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300013716580	1	54	0.0	-80.65	427.08	9.25	-71.40
C[N@@H+]1CC[C@@H](NC(=O)NCC(C)(C)C(=O)[O-])[C@@H]1C1=CC=CC=C1	REAL300013716584	0	48	0.0	-76.66	362.51	6.87	-69.79
C[N@H+]1CC[C@@H](NC(=O)NCC(C)(C)C(=O)[O-])[C@@H]1C1=CC=CC=C1	REAL300013716584	1	48	0.0	-76.38	371.55	7.58	-68.80
C[C@@H]1C[C@H](NC(=O)NCC(C)(C)C(=O)[O-])C[C@H](C)[N@H+]1CC1=CC=CC=C1	REAL300013716606	0	57	0.0	-75.96	408.30	8.52	-67.44
C[C@@H]1C[C@H](NC(=O)NCC(C)(C)C(=O)[O-])C[C@H](C)[N@@H+]1CC1=CC=CC=C1	REAL300013716606	1	57	0.0	-72.20	408.49	8.63	-63.57
C[N@@H+]1CC[C@@H](NC(=O)NCC(C)(C)C(=O)[O-])[C@@H]1C1=CC=C(Cl)C=C1	REAL300013716623	1	48	0.0	-80.25	379.36	7.40	-72.85
C[N@H+]1CC[C@@H](NC(=O)NCC(C)(C)C(=O)[O-])[C@@H]1C1=CC=C(Cl)C=C1	REAL300013716623	1	48	0.0	-80.41	387.16	8.19	-72.22
COC1=CC=CC([C@@H]2[C@@H](NC(=O)NCC(C)(C)C(=O)[O-])CC[N@@H+]2C2CC2)=C1	REAL300013716630	0	56	0.0	-74.47	423.53	7.64	-66.83
COC1=CC=CC([C@@H]2[C@@H](NC(=O)NCC(C)(C)C(=O)[O-])CC[N@H+]2C2CC2)=C1	REAL300013716630	1	56	0.0	-74.70	428.32	8.25	-66.45
CCN1CCN(C(=O)NCCCC(=O)[O-])CC[N@H+](CC)CC1	REAL300013855023	0	52	0.0	-70.57	359.04	5.43	-65.14
CCN1CCN(C(=O)NCCCC(=O)[O-])CC[N@@H+](CC)CC1	REAL300013855023	1	52	0.0	-69.06	359.27	5.47	-63.59
O=C([O-])CCCNC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300013855028	0	44	0.0	-70.31	346.98	3.78	-66.53
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NCCCC(=O)[O-])CC1	REAL300013855037	0	55	0.0	-67.62	392.18	4.57	-63.05
CC[NH+](CC)CCC(NC(=O)NCCCC(=O)[O-])C1=CC=CC=C1	REAL300013855039	0	53	0.0	-70.44	407.18	8.90	-61.54
C[NH+](C)CC1=CC=C(C(=O)NNC(=O)NCCCC(=O)[O-])C=C1	REAL300013855046	0	45	0.0	-75.67	366.65	5.32	-70.35
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)NCCCC(=O)[O-])CC2	REAL300013855054	1	44	0.0	-65.32	345.58	6.30	-59.02
O=C([O-])CCCNC(=O)N[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=C(F)C=C1	REAL300013855056	0	55	0.0	-78.54	439.67	10.54	-68.00
O=C([O-])CCCNC(=O)N[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=C(F)C=C1	REAL300013855056	1	55	0.0	-80.66	442.91	10.42	-70.24
COC(=O)[C@]12CN(C(=O)NCCCC(=O)[O-])C[C@H]1C[N@H+](C)CC2	REAL300013855057	0	48	0.0	-75.84	370.04	6.57	-69.27
COC(=O)[C@]12CN(C(=O)NCCCC(=O)[O-])C[C@H]1C[N@@H+](C)CC2	REAL300013855057	1	48	0.0	-79.97	371.58	6.45	-73.52
O=C([O-])CCCNC(=O)NC1CC[NH+](CC2CCCO2)CC1	REAL300013855079	0	49	0.0	-69.33	372.50	5.02	-64.31
O=C([O-])CCCNC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013855086	1	50	0.0	-74.18	386.29	5.53	-68.65
O=C([O-])CCCNC(=O)NC1CC2CCCC(C1)[NH+]2CC1=CC=CC=C1	REAL300013855104	0	55	0.0	-72.36	401.96	8.54	-63.82
CO[C@@H]1C[C@@H](CNC(=O)NCCCC(=O)[O-])[N@H+](CC2=CC=CC=C2)C1	REAL300013855107	0	52	0.0	-69.38	412.70	6.52	-62.86
CO[C@@H]1C[C@@H](CNC(=O)NCCCC(=O)[O-])[N@@H+](CC2=CC=CC=C2)C1	REAL300013855107	1	52	0.0	-66.98	404.91	6.01	-60.97
CC1(NC(=O)NCCCC(=O)[O-])CC[N@H+](CC2=CC=CC=C2)C1	REAL300013855112	0	48	0.0	-73.37	372.87	7.22	-66.15
CC1(NC(=O)NCCCC(=O)[O-])CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013855112	1	48	0.0	-73.43	372.28	7.17	-66.26
CC1C[N@H+](CC2CN(C)CCO2)CCN1C(=O)NCCCC(=O)[O-]	REAL300013855136	1	54	0.0	-70.02	396.27	4.52	-65.50
CC1C[N@@H+](CC2CN(C)CCO2)CCN1C(=O)NCCCC(=O)[O-]	REAL300013855136	1	54	0.0	-69.98	398.15	4.70	-65.28
CC1CN(CC2C[N@H+](C)CCO2)CCN1C(=O)NCCCC(=O)[O-]	REAL300013855136	1	54	0.0	-73.28	384.53	4.26	-69.02
CC1CN(CC2C[N@@H+](C)CCO2)CCN1C(=O)NCCCC(=O)[O-]	REAL300013855136	1	54	0.0	-73.20	384.60	4.25	-68.95
C[NH+]1CCC(CNC(=O)NCCCC(=O)[O-])(C2=CC=CC=C2)CC1	REAL300013855142	0	51	0.0	-72.95	382.89	7.73	-65.22
O=C([O-])CCCNC(=O)N1CCCC([NH+]2CCOCC2)CC1	REAL300013855163	0	49	0.0	-71.43	353.47	6.21	-65.22
CC1CN(C(=O)NCCCC(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013855164	1	48	0.0	-70.95	362.49	8.92	-62.03
CC1CN(C(=O)NCCCC(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013855164	1	48	0.0	-70.87	362.51	8.91	-61.96
COCC(COC)[NH+]1CCN(C(=O)NCCCC(=O)[O-])CC1	REAL300013855171	1	49	0.0	-66.92	369.48	5.50	-61.42
O=C([O-])CCCNC(=O)N1CC[NH+](CCC2=CC=C(F)C=C2)CC1	REAL300013855177	1	48	0.0	-80.06	379.20	9.24	-70.82
C[NH+](C)CCN1CCN(C(=O)NCCCC(=O)[O-])CC1=O	REAL300013855191	0	45	0.0	-72.19	351.44	5.19	-67.00
CC(C)C1CN(C(=O)NCCCC(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013855195	0	54	0.0	-70.56	389.56	9.45	-61.11
CC(C)C1CN(C(=O)NCCCC(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013855195	1	54	0.0	-67.86	398.69	9.97	-57.89
C[NH+]1CCC(CNC(=O)NCCCC(=O)[O-])(N2CCOCC2)CC1	REAL300013855209	0	54	0.0	-73.21	386.63	2.56	-70.65
CC[NH+]1CCC(N2CCCN(C(=O)NCCCC(=O)[O-])CC2)CC1	REAL300013855212	0	56	0.0	-67.75	398.98	7.60	-60.15
CCN1CCC([N@@H+]2CCCN(C(=O)NCCCC(=O)[O-])CC2)CC1	REAL300013855212	1	56	0.0	-71.08	394.85	6.95	-64.13
CCN1CCC([N@H+]2CCCN(C(=O)NCCCC(=O)[O-])CC2)CC1	REAL300013855212	1	56	0.0	-68.58	397.19	7.13	-61.45
O=C([O-])CCCNC(=O)N1CCCC([NH2+]C2CCOCC2)C1	REAL300013855230	0	49	0.0	-73.74	363.07	4.68	-69.06
NC(=O)C1CC[NH+](CC2=CC=C(CNC(=O)NCCCC(=O)[O-])C=C2)CC1	REAL300013855231	0	55	0.0	-85.85	433.65	4.90	-80.95
C[NH+](C)CC(NC(=O)NCCCC(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300013855232	0	47	0.0	-70.91	391.29	8.32	-62.59
O=C([O-])CCCNC(=O)NC1CC[NH+](CC2=CC=CC(Br)=C2)CC1	REAL300013855238	1	48	0.0	-77.36	396.80	8.20	-69.16
COC(=O)C1CN(C(=O)NCCCC(=O)[O-])CC[N@H+](C)C1	REAL300013855264	0	44	0.0	-72.42	339.24	6.28	-66.14
COC(=O)C1CN(C(=O)NCCCC(=O)[O-])CC[N@@H+](C)C1	REAL300013855264	1	44	0.0	-72.50	338.96	6.28	-66.22
CO[C@H]1C[C@@H](CNC(=O)NCCCC(=O)[O-])[N@H+](CC2=CC=CC=C2)C1	REAL300013855266	0	52	0.0	-70.12	405.36	6.59	-63.53
CO[C@H]1C[C@@H](CNC(=O)NCCCC(=O)[O-])[N@@H+](CC2=CC=CC=C2)C1	REAL300013855266	1	52	0.0	-69.93	405.04	6.02	-63.91
CC(C)[NH+]1CCN(C2CCN(C(=O)NCCCC(=O)[O-])C2)CC1	REAL300013855270	0	53	0.0	-69.97	391.31	5.74	-64.23
COCC[N@H+]1[C@H](C)CN(C(=O)NCCCC(=O)[O-])C[C@@H]1C	REAL300013855304	0	48	0.0	-66.72	349.74	5.59	-61.13
COCC[N@@H+]1[C@H](C)CN(C(=O)NCCCC(=O)[O-])C[C@@H]1C	REAL300013855304	1	48	0.0	-66.78	350.74	5.08	-61.70
C[C@@H]1C[N@@H+](CC2=CC=C(CN(C)C(=O)NCCCC(=O)[O-])C=C2)C[C@H](C)O1	REAL300013855317	0	58	0.0	-72.40	441.58	9.73	-62.67
C[C@@H]1C[N@H+](CC2=CC=C(CN(C)C(=O)NCCCC(=O)[O-])C=C2)C[C@H](C)O1	REAL300013855317	1	58	0.0	-72.77	447.93	9.71	-63.06
CC1C(=O)N(CC[NH+](C)C)CN1C(=O)NCCCC(=O)[O-]	REAL300013855343	0	45	0.0	-72.86	358.66	5.65	-67.21
C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCCCC(=O)[O-]	REAL300013855344	0	51	0.0	-70.00	391.24	4.25	-65.75
O=C([O-])CCCNC(=O)NCC1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300013855346	0	44	0.0	-70.83	367.37	5.52	-65.31
O=C([O-])CCCNC(=O)NC1(C2=CC=CC=C2)CC[N@H+](CC2=CC=CC=C2)C1	REAL300013855348	0	55	0.0	-77.15	426.12	9.83	-67.32
O=C([O-])CCCNC(=O)NC1(C2=CC=CC=C2)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013855348	1	55	0.0	-76.96	428.08	9.96	-67.00
O=C([O-])CCCNC(=O)N1CC2=CC=C[NH+]=C2N2C[C@H](O)C[C@H]2C1	REAL300013855362	1	46	0.0	-64.20	352.91	3.31	-60.89
CO[C@@H]1C[C@@H]2CN(C(=O)NCCCC(=O)[O-])CC3=CC=C[NH+]=C3N2C1	REAL300013855363	1	49	0.0	-65.58	374.39	5.74	-59.84
COC1CC2CN(C(=O)NCCCC(=O)[O-])CC3=CC=C[NH+]=C3N2C1	REAL300013855370	1	49	0.0	-62.44	374.83	5.71	-56.73
O=C([O-])CCCNC(=O)N1CC2=CC=C[NH+]=C2N2CCC[C@@H]2C1	REAL300013855380	1	45	0.0	-62.81	341.80	6.78	-56.03
O=C([O-])CCCNC(=O)N1CC2=CC=C[NH+]=C2N2CCC[C@H]2C1	REAL300013855381	1	45	0.0	-62.56	341.93	6.76	-55.80
NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCCC(=O)[O-]	REAL300013855385	0	45	0.0	-76.85	352.75	0.99	-75.86
NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCCCC(=O)[O-]	REAL300013855385	1	45	0.0	-73.70	358.59	1.50	-72.20
C[N@@H+]1C[C@@H](CNC(=O)NCCCC(=O)[O-])[C@H](C2=CC=CC=C2)C1	REAL300013855389	0	48	0.0	-73.90	379.06	7.36	-66.54
C[N@H+]1C[C@@H](CNC(=O)NCCCC(=O)[O-])[C@H](C2=CC=CC=C2)C1	REAL300013855389	1	48	0.0	-76.31	379.66	7.25	-69.06
CCO[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1CNC(=O)NCCCC(=O)[O-]	REAL300013855393	0	55	0.0	-73.74	435.48	7.51	-66.23
CCO[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1CNC(=O)NCCCC(=O)[O-]	REAL300013855393	1	55	0.0	-72.37	435.27	7.44	-64.93
CN1C=NC=C1[C@@H]1[C@@H](CNC(=O)NCCCC(=O)[O-])CCC[N@@H+]1C1CC1	REAL300013855402	0	55	0.0	-74.20	411.85	7.55	-66.65
CN1C=NC=C1[C@@H]1[C@@H](CNC(=O)NCCCC(=O)[O-])CCC[N@H+]1C1CC1	REAL300013855402	1	55	0.0	-72.04	414.69	8.25	-63.79
C[NH+](C)CC1=C2CN(C(=O)NCCCC(=O)[O-])CCN2N=C1	REAL300013855409	0	45	0.0	-71.48	354.87	5.91	-65.57
O=C([O-])CCCNC(=O)N[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(F)(F)F	REAL300013855419	1	48	0.0	-77.93	397.07	7.77	-70.16
O=C([O-])CCCNC(=O)N[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(F)(F)F	REAL300013855419	1	48	0.0	-77.56	397.35	7.82	-69.74
C[C@@]1(NC(=O)NCCCC(=O)[O-])C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC=C1	REAL300013855428	0	58	0.0	-68.02	440.90	10.53	-57.49
C[C@@]1(NC(=O)NCCCC(=O)[O-])C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC=C1	REAL300013855428	1	58	0.0	-69.11	442.72	10.33	-58.78
C[NH+]1CC23CN(C(=O)NCCCC(=O)[O-])CC2(C1)CCCC3	REAL300013855469	0	49	0.0	-67.33	357.51	7.26	-60.07
CC(C)[NH+]1CCN(C2(CNC(=O)NCCCC(=O)[O-])CCCC2)CC1	REAL300013855519	0	59	0.0	-67.67	416.39	5.66	-62.01
CC(C)N1CC[NH+](C2(CNC(=O)NCCCC(=O)[O-])CCCC2)CC1	REAL300013855519	1	59	0.0	-64.34	418.20	5.76	-58.58
COCC(C)(CNC(=O)NCCCC(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300013855523	0	59	0.0	-67.75	426.82	4.75	-63.00
C[NH+]1CCN(C2=CC=C(CCNC(=O)NCCCC(=O)[O-])C=C2)CC1	REAL300013855535	0	53	0.0	-74.79	411.43	6.32	-68.47
O=C([O-])CCCNC(=O)NCC(C1=CC=C(C(F)(F)F)C=C1)[NH+]1CCCC1	REAL300013855547	0	51	0.0	-74.38	411.67	8.46	-65.92
O=C([O-])CCCNC(=O)N1CCC2CC[N@H+](CC3=CC=CC=C3)C21	REAL300013855561	0	49	0.0	-57.54	366.07	8.67	-48.87
O=C([O-])CCCNC(=O)N1CCC2CC[N@@H+](CC3=CC=CC=C3)C21	REAL300013855561	1	49	0.0	-58.75	372.59	9.48	-49.27
O=C([O-])CCCNC(=O)N1CCCC2(C1)C[N@H+](CC1=CC=CC=C1)CCO2	REAL300013855564	1	56	0.0	-76.88	416.99	9.22	-67.66
O=C([O-])CCCNC(=O)N1CCCC2(C1)C[N@@H+](CC1=CC=CC=C1)CCO2	REAL300013855564	1	56	0.0	-76.86	417.09	9.21	-67.65
COC(=O)C1CC([NH+](C)C)CN(C(=O)NCCCC(=O)[O-])C1	REAL300013855573	0	47	0.0	-65.76	357.05	7.01	-58.75
CN(C(=O)NCCCC(=O)[O-])C(C[NH+](C)C)C1=CC=CC=C1	REAL300013855580	0	47	0.0	-67.71	361.34	9.69	-58.02
CC(C)[N@@H+]1CC[C@@H](NC(=O)NCCCC(=O)[O-])[C@@H]1C1=CC=C(F)C(F)=C1	REAL300013855622	1	51	0.0	-75.01	394.21	7.36	-67.65
CC(C)[N@H+]1CC[C@@H](NC(=O)NCCCC(=O)[O-])[C@@H]1C1=CC=C(F)C(F)=C1	REAL300013855622	1	51	0.0	-76.31	403.88	8.13	-68.18
CC(C)[N@@H+]1CC[C@@H](NC(=O)NCCCC(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300013855624	1	51	0.0	-73.86	404.11	7.81	-66.05
CC(C)[N@H+]1CC[C@@H](NC(=O)NCCCC(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300013855624	1	51	0.0	-74.97	413.76	8.58	-66.39
CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NCCCC(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300013855625	1	54	0.0	-72.48	401.90	7.59	-64.89
CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NCCCC(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300013855625	1	54	0.0	-72.51	425.56	8.80	-63.71
C[N@@H+]1CC[C@@H](NC(=O)NCCCC(=O)[O-])[C@@H]1C1=CC=CC=C1	REAL300013855629	0	45	0.0	-71.01	349.15	6.20	-64.81
C[N@H+]1CC[C@@H](NC(=O)NCCCC(=O)[O-])[C@@H]1C1=CC=CC=C1	REAL300013855629	1	45	0.0	-70.88	357.61	6.92	-63.96
C[C@@H]1C[C@H](NC(=O)NCCCC(=O)[O-])C[C@H](C)[N@H+]1CC1=CC=CC=C1	REAL300013855646	0	54	0.0	-70.48	394.95	7.85	-62.63
C[C@@H]1C[C@H](NC(=O)NCCCC(=O)[O-])C[C@H](C)[N@@H+]1CC1=CC=CC=C1	REAL300013855646	1	54	0.0	-67.71	394.56	7.97	-59.74
C[N@@H+]1CC[C@@H](NC(=O)NCCCC(=O)[O-])[C@@H]1C1=CC=C(Cl)C=C1	REAL300013855664	1	45	0.0	-74.28	364.72	6.73	-67.55
C[N@H+]1CC[C@@H](NC(=O)NCCCC(=O)[O-])[C@@H]1C1=CC=C(Cl)C=C1	REAL300013855664	1	45	0.0	-74.37	373.80	7.52	-66.85
COC1=CC=CC([C@@H]2[C@@H](NC(=O)NCCCC(=O)[O-])CC[N@@H+]2C2CC2)=C1	REAL300013855669	0	53	0.0	-68.54	411.55	7.00	-61.54
COC1=CC=CC([C@@H]2[C@@H](NC(=O)NCCCC(=O)[O-])CC[N@H+]2C2CC2)=C1	REAL300013855669	1	53	0.0	-69.25	414.99	7.58	-61.67
CC(CNC(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300013893005	0	53	0.0	-77.22	407.61	6.27	-70.95
CC(CNC(=O)NCC(C1=CC=C(C(F)(F)F)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300013893017	0	51	0.0	-76.51	408.72	8.42	-68.09
CC(CNC(=O)N1CCC2CC[N@H+](CC3=CC=CC=C3)C21)C(=O)[O-]	REAL300013893031	0	49	0.0	-57.70	363.24	8.54	-49.16
CC(CNC(=O)N1CCC2CC[N@@H+](CC3=CC=CC=C3)C21)C(=O)[O-]	REAL300013893031	1	49	0.0	-60.01	369.63	9.44	-50.57
CC(CNC(=O)N1CCCC2(C1)C[N@H+](CC1=CC=CC=C1)CCO2)C(=O)[O-]	REAL300013893034	1	56	0.0	-80.39	413.99	9.16	-71.23
CC(CNC(=O)N1CCCC2(C1)C[N@@H+](CC1=CC=CC=C1)CCO2)C(=O)[O-]	REAL300013893034	1	56	0.0	-80.25	414.10	9.16	-71.09
COC(=O)C1CC([NH+](C)C)CN(C(=O)NCC(C)C(=O)[O-])C1	REAL300013893043	0	47	0.0	-71.60	359.20	6.44	-65.16
CC(CNC(=O)N(C)C(C[NH+](C)C)C1=CC=CC=C1)C(=O)[O-]	REAL300013893050	0	47	0.0	-71.23	359.20	9.69	-61.54
CC(C)[N@@H+]1CC[C@@H](NC(=O)NCC(C)C(=O)[O-])[C@@H]1C1=CC=C(F)C(F)=C1	REAL300013893092	1	51	0.0	-78.51	390.36	7.30	-71.21
CC(C)[N@H+]1CC[C@@H](NC(=O)NCC(C)C(=O)[O-])[C@@H]1C1=CC=C(F)C(F)=C1	REAL300013893092	1	51	0.0	-79.67	401.07	8.09	-71.58
CC(C)[N@@H+]1CC[C@@H](NC(=O)NCC(C)C(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300013893094	1	51	0.0	-77.50	401.14	7.76	-69.74
CC(C)[N@H+]1CC[C@@H](NC(=O)NCC(C)C(=O)[O-])[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300013893094	1	51	0.0	-78.39	410.96	8.54	-69.85
CC(CNC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)[C@H]1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300013893095	1	54	0.0	-75.68	397.78	7.49	-68.19
CC(CNC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)[C@H]1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300013893095	1	54	0.0	-75.85	423.41	8.78	-67.07
CC(CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C1=CC=CC=C1)C(=O)[O-]	REAL300013893099	0	45	0.0	-74.77	354.14	6.95	-67.82
CC(CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C1=CC=CC=C1)C(=O)[O-]	REAL300013893099	1	45	0.0	-74.49	344.17	6.17	-68.32
CC(CNC(=O)N[C@H]1C[C@@H](C)[N@@H+](CC2=CC=CC=C2)[C@@H](C)C1)C(=O)[O-]	REAL300013893116	0	54	0.0	-70.00	390.91	7.87	-62.13
CC(CNC(=O)N[C@H]1C[C@@H](C)[N@H+](CC2=CC=CC=C2)[C@@H](C)C1)C(=O)[O-]	REAL300013893116	1	54	0.0	-74.42	392.00	7.82	-66.60
CC(CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300013893134	1	45	0.0	-78.35	372.17	7.43	-70.92
CC(CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300013893134	1	45	0.0	-78.25	363.05	6.69	-71.56
COC1=CC=CC([C@@H]2[C@@H](NC(=O)NCC(C)C(=O)[O-])CC[N@@H+]2C2CC2)=C1	REAL300013893139	0	53	0.0	-72.47	406.51	6.94	-65.53
COC1=CC=CC([C@@H]2[C@@H](NC(=O)NCC(C)C(=O)[O-])CC[N@H+]2C2CC2)=C1	REAL300013893139	1	53	0.0	-73.25	412.52	7.54	-65.71