C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025554566	0	46	0.0	-65.30	376.18	6.54	-58.76
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025554566	1	46	0.0	-64.91	376.19	6.55	-58.36
CC(C)[N@@H+]1CCC2=C(C1)C1=CC=CC=C1N2CC(=O)NCC1=NC(=O)O[N-]1	REAL300025554914	0	50	0.0	-58.65	395.08	6.57	-52.08
CC(C)[N@H+]1CCC2=C(C1)C1=CC=CC=C1N2CC(=O)NCC1=NC(=O)O[N-]1	REAL300025554914	1	50	0.0	-58.12	394.45	6.52	-51.60
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300025554967	0	43	0.0	-62.36	341.03	4.81	-57.55
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300025554986	0	40	0.0	-62.13	324.28	4.10	-58.03
CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025554987	1	50	0.0	-58.09	388.70	1.15	-56.94
CC[NH+](CC)CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025554993	0	42	0.0	-61.27	329.30	3.98	-57.29
C[NH+](C)CCN1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C1=CC=CC=C1	REAL300025555013	0	46	0.0	-64.86	374.61	4.22	-60.64
O=C(NCC1=NC(=O)O[N-]1)C1C[N@@H+](CC2=CC=CC=C2)CCC1(F)F	REAL300025555050	0	43	0.0	-54.89	344.80	5.10	-49.79
O=C(NCC1=NC(=O)O[N-]1)C1C[N@H+](CC2=CC=CC=C2)CCC1(F)F	REAL300025555050	1	43	0.0	-54.88	344.75	5.10	-49.78
O=C(NCC1=NC(=O)O[N-]1)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300025555059	0	43	0.0	-49.81	342.09	4.62	-45.19
O=C(NCC1=NC(=O)O[N-]1)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300025555075	0	46	0.0	-51.54	358.73	5.72	-45.82
O=C(NCC1=NC(=O)O[N-]1)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300025555075	1	46	0.0	-57.95	364.99	5.52	-52.43
CCN1CCC([NH+]2CCC(C(=O)NCC3=NC(=O)O[N-]3)CC2)CC1	REAL300025555078	0	51	0.0	-56.25	371.11	2.04	-54.21
O=C(NCC1=NC(=O)O[N-]1)C(F)C[NH+](CC1=CC=CC=C1)CC1=CC=CC=C1	REAL300025555137	1	49	0.0	-56.36	403.88	7.33	-49.03
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C1N2	REAL300025555309	1	41	0.0	-66.89	334.27	3.38	-63.51
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C1N2	REAL300025555309	1	41	0.0	-66.57	334.47	3.36	-63.21
O=C(NCC1=NC(=O)O[N-]1)C1CC[NH+](C2CCSC2)CC1	REAL300025555348	0	41	0.0	-61.05	325.14	3.35	-57.70
O=C(NCC1=NC(=O)O[N-]1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300025555354	0	40	0.0	-54.83	324.43	3.84	-50.99
O=C(NCC1=NC(=O)O[N-]1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300025555354	1	40	0.0	-54.70	326.33	3.97	-50.73
C[N@@H+]1C[C@H](C(=O)NCC2=NC(=O)O[N-]2)[C@@H](C2=CC=CC=C2)C1	REAL300025555448	0	40	0.0	-58.79	324.87	3.70	-55.09
C[N@H+]1C[C@H](C(=O)NCC2=NC(=O)O[N-]2)[C@@H](C2=CC=CC=C2)C1	REAL300025555448	1	40	0.0	-54.74	324.71	3.82	-50.92
CC(C)[NH+]1CCN(CCCC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025555451	0	47	0.0	-55.34	358.17	1.45	-53.89
CC(C)N1CC[NH+](CCCC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025555451	1	47	0.0	-56.41	354.49	1.23	-55.18
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300025555479	0	43	0.0	-60.16	341.04	4.80	-55.36
C[NH+](C)CCOC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025558116	0	40	0.0	-61.91	329.26	2.75	-59.16
COC(=O)CC(C(=O)NCC1=NC(=O)O[N-]1)[NH+]1CCCCC1	REAL300025558159	1	42	0.0	-42.67	326.56	2.37	-40.30
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)NCC1=NC(=O)O[N-]1	REAL300025558280	0	46	0.0	-56.67	361.03	5.40	-51.27
CC1C[N@H+](CC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)CCO1	REAL300025558281	1	44	0.0	-64.46	346.83	3.12	-61.34
CC1C[N@@H+](CC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)CCO1	REAL300025558281	1	44	0.0	-64.59	346.89	3.12	-61.47
CC(C)(C)[N@@H+]1CC[C@H](C(=O)NCC2=NC(=O)O[N-]2)[C@@H](C2=CC=C(F)C=C2F)C1	REAL300025558378	0	52	0.0	-59.67	397.25	5.91	-53.76
CC(C)(C)[N@H+]1CC[C@H](C(=O)NCC2=NC(=O)O[N-]2)[C@@H](C2=CC=C(F)C=C2F)C1	REAL300025558378	1	52	0.0	-59.67	397.25	5.91	-53.76
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025562851	0	49	0.0	-73.07	398.36	7.03	-66.04
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025562851	1	49	0.0	-72.28	398.37	7.04	-65.24
C[NH+](C)C(CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025562909	0	42	0.0	-58.37	332.00	3.87	-54.50
O=C(NCCC1=NC(=O)O[N-]1)C1CCCC[N@@H+]1C1CCCC1	REAL300025562923	0	46	0.0	-56.92	340.38	3.72	-53.20
O=C(NCCC1=NC(=O)O[N-]1)C1CCCC[N@H+]1C1CCCC1	REAL300025562923	1	46	0.0	-56.97	341.04	3.77	-53.20
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300025563238	1	34	0.0	-77.59	303.20	1.40	-76.19
CC(C)[N@@H+]1CCC2=C(C1)C1=CC=CC=C1N2CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025563282	0	53	0.0	-68.97	417.26	7.06	-61.91
CC(C)[N@H+]1CCC2=C(C1)C1=CC=CC=C1N2CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025563282	1	53	0.0	-68.16	416.63	7.01	-61.15
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300025563349	0	46	0.0	-75.26	362.91	5.25	-70.01
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300025563376	0	43	0.0	-75.00	346.46	4.59	-70.41
CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025563378	1	53	0.0	-67.76	411.28	1.65	-66.11
CC[NH+](CC)CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025563387	0	45	0.0	-73.69	351.48	4.47	-69.22
C[NH+](C)CCN1N=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C1=CC=CC=C1	REAL300025563413	0	49	0.0	-74.07	396.78	4.71	-69.36
O=C(NCCC1=NC(=O)O[N-]1)C1C[N@@H+](CC2=CC=CC=C2)CCC1(F)F	REAL300025563453	0	46	0.0	-59.68	366.97	5.61	-54.07
O=C(NCCC1=NC(=O)O[N-]1)C1C[N@H+](CC2=CC=CC=C2)CCC1(F)F	REAL300025563453	1	46	0.0	-59.63	366.93	5.59	-54.04
O=C(NCCC1=NC(=O)O[N-]1)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300025563464	0	46	0.0	-61.87	366.44	5.05	-56.82
O=C(NCCC1=NC(=O)O[N-]1)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300025563486	0	49	0.0	-69.24	387.16	6.01	-63.23
O=C(NCCC1=NC(=O)O[N-]1)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300025563486	1	49	0.0	-59.81	380.89	6.21	-53.60
CCN1CCC([NH+]2CCC(C(=O)NCCC3=NC(=O)O[N-]3)CC2)CC1	REAL300025563489	0	54	0.0	-70.19	397.26	2.77	-67.42
C[NH+](C)CCOC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025567072	0	43	0.0	-75.31	351.45	3.24	-72.07
COC(=O)CC(C(=O)NCCC1=NC(=O)O[N-]1)[NH+]1CCCCC1	REAL300025567119	0	45	0.0	-53.74	348.74	2.82	-50.92
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)NCCC1=NC(=O)O[N-]1	REAL300025567242	0	49	0.0	-64.94	383.21	5.89	-59.05
CC1C[N@H+](CC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)CCO1	REAL300025567243	1	47	0.0	-77.48	369.01	3.61	-73.87
CC1C[N@@H+](CC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)CCO1	REAL300025567243	1	47	0.0	-77.66	369.07	3.61	-74.05
C[NH+](C)CC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025568065	0	40	0.0	-66.91	341.40	1.34	-65.57
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568089	0	46	0.0	-62.71	380.36	0.66	-62.05
O=C1N=C(CCNS(=O)(=O)CCC[NH+]2CCCC2)[N-]O1	REAL300025568221	0	40	0.0	-63.67	332.24	0.41	-63.26
C[NH+]1CCN(CCCS(=O)(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025568222	0	45	0.0	-65.88	364.78	-1.34	-67.22
C[NH+](C)CC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025569629	0	37	0.0	-70.56	319.32	0.82	-69.74
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569652	0	43	0.0	-69.65	357.36	0.13	-69.52
C[NH+]1CCN(CCCS(=O)(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025569761	0	42	0.0	-68.62	342.70	-1.86	-70.48
O=C1N=C(CNS(=O)(=O)CC23CC[N@H+](C2)CCC3)[N-]O1	REAL300025570020	0	38	0.0	-71.35	296.62	-0.46	-71.81
O=C1N=C(CNS(=O)(=O)CC23CC[N@@H+](C2)CCC3)[N-]O1	REAL300025570020	1	38	0.0	-71.59	296.61	-0.47	-72.06
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025573603	0	46	0.0	-65.30	376.18	6.54	-58.76
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025573603	1	46	0.0	-64.91	376.19	6.55	-58.36
C[NH+](C)CCN1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C1=CC=CC=C1	REAL300025573623	0	46	0.0	-64.86	374.61	4.22	-60.64
CC(C)[N@@H+]1CCC2=C(C1)C1=CC=CC=C1N2CC(=O)NCC1=NC(=O)O[N-]1	REAL300025573894	0	50	0.0	-58.65	395.08	6.57	-52.08
CC(C)[N@H+]1CCC2=C(C1)C1=CC=CC=C1N2CC(=O)NCC1=NC(=O)O[N-]1	REAL300025573894	1	50	0.0	-58.12	394.45	6.52	-51.60
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300025573927	0	40	0.0	-62.13	324.28	4.10	-58.03
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300025573936	0	43	0.0	-62.36	341.03	4.81	-57.55
CC[NH+](CC)CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025573954	0	42	0.0	-61.27	329.30	3.98	-57.29
CCN1CCC([NH+]2CCC(C(=O)NCC3=NC(=O)O[N-]3)CC2)CC1	REAL300025574053	0	51	0.0	-56.25	371.11	2.04	-54.21
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C1N2	REAL300025574179	1	41	0.0	-66.89	334.27	3.38	-63.51
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C1N2	REAL300025574179	1	41	0.0	-66.57	334.47	3.36	-63.21
O=C(NCC1=NC(=O)O[N-]1)C1CC[NH+](C2CCSC2)CC1	REAL300025574210	0	41	0.0	-61.05	325.14	3.35	-57.70
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300025574318	0	43	0.0	-60.16	341.04	4.80	-55.36
C[N@@H+]1CCCC(C2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)C1	REAL300025574416	0	43	0.0	-63.47	341.64	4.65	-58.82
C[N@H+]1CCCC(C2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)C1	REAL300025574416	1	43	0.0	-63.43	341.63	4.64	-58.79
C[NH+](C)CCN1C(=O)NC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C21	REAL300025574458	0	43	0.0	-60.11	358.85	2.16	-57.95
COC1=CC=C(C([NH2+]C(C)C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025574462	0	43	0.0	-50.18	348.42	1.52	-48.66
C[NH+](C)CCC(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025574485	0	49	0.0	-49.28	381.29	0.53	-48.75