CC[NH+](CC)CCOCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024348541	0	44	0.0	-64.44	361.58	0.71	-63.73
CCCN(CC[NH+](CC)CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024348554	0	46	0.0	-63.62	367.25	4.32	-59.30
C[NH+](C)CC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024348555	0	44	0.0	-66.98	340.13	2.55	-64.43
CN1CC[NH+](CC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024348564	0	53	0.0	-69.65	392.33	2.47	-67.18
CCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1CC1=CC=CC=C1	REAL300024348569	1	48	0.0	-70.04	377.76	5.74	-64.30
CCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1CC1=CC=CC=C1	REAL300024348569	1	48	0.0	-67.82	382.16	5.52	-62.30
CC1=CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)C(N2CCCC2)=[NH+]1	REAL300024348595	1	44	0.0	-60.87	360.01	2.57	-58.30
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCC[N@@H+](C2CCC2)C1	REAL300024348609	0	48	0.0	-67.74	378.58	3.80	-63.94
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCC[N@H+](C2CCC2)C1	REAL300024348609	1	48	0.0	-61.74	371.56	3.78	-57.96
CC(C)(O)C[N@@H+]1CCC2=C(C=CC=C2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024348643	0	49	0.0	-73.97	390.27	2.52	-71.45
CC(C)(O)C[N@H+]1CCC2=C(C=CC=C2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024348643	1	49	0.0	-70.22	389.45	2.48	-67.74
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1	REAL300024348657	0	46	0.0	-64.28	383.35	0.81	-63.47
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1	REAL300024348657	1	46	0.0	-61.22	379.58	1.41	-59.81
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCCCC1	REAL300024348665	0	44	0.0	-64.29	344.88	2.11	-62.18
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=CC=C1C[N@H+]1CCCC1CO	REAL300024348673	0	49	0.0	-59.75	398.97	1.58	-58.17
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=CC=C1C[N@@H+]1CCCC1CO	REAL300024348673	1	49	0.0	-57.15	388.50	2.10	-55.05
O=C(CSC1=NNC(=O)[N-]1)N1CCC2CCC(C1)[N@@H+]2CC1=CC=CC=C1	REAL300024348679	0	49	0.0	-64.98	361.81	5.52	-59.46
O=C(CSC1=NNC(=O)[N-]1)N1CCC2CCC(C1)[N@H+]2CC1=CC=CC=C1	REAL300024348679	1	49	0.0	-64.88	372.58	6.28	-58.60
CC[NH+](CC)CCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024348685	0	53	0.0	-68.42	405.91	5.75	-62.67
CC(C)[N@@H+]1CCC2=C(C1)SC(NC(=O)CSC1=NNC(=O)[N-]1)=N2	REAL300024348689	1	41	0.0	-70.92	351.62	2.90	-68.02
CC(C)[N@H+]1CCC2=C(C1)SC(NC(=O)CSC1=NNC(=O)[N-]1)=N2	REAL300024348689	1	41	0.0	-70.95	351.63	2.89	-68.06
CC[N@H+](CCNC(=O)CSC1=NNC(=O)[N-]1)CCC(F)(F)F	REAL300024348713	0	40	0.0	-74.38	342.86	1.32	-73.06
CC[N@@H+](CCNC(=O)CSC1=NNC(=O)[N-]1)CCC(F)(F)F	REAL300024348713	1	40	0.0	-75.00	347.32	1.61	-73.39
CC1C[N@H+](CCCNC(=O)CSC2=NNC(=O)[N-]2)CCCO1	REAL300024348725	0	45	0.0	-71.06	359.76	1.31	-69.75
CC1C[N@@H+](CCCNC(=O)CSC2=NNC(=O)[N-]2)CCCO1	REAL300024348725	1	45	0.0	-69.96	360.65	0.87	-69.09
O=C(CSC1=NNC(=O)[N-]1)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300024348738	1	46	0.0	-72.25	380.55	3.93	-68.32
O=C(CSC1=NNC(=O)[N-]1)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300024348738	1	46	0.0	-69.58	382.60	4.82	-64.76
COC1=CC=CC(CN(CC[NH+](C)C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024348792	0	48	0.0	-75.77	398.51	4.50	-71.27
O=C(CSC1=NNC(=O)[N-]1)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1	REAL300024348808	0	49	0.0	-70.57	395.58	3.12	-67.45
O=C(CSC1=NNC(=O)[N-]1)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1	REAL300024348808	1	49	0.0	-70.77	396.34	3.04	-67.73
C[NH+](C)CCC1=CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024348872	0	44	0.0	-71.94	374.79	3.61	-68.33
CC[NH+](CC)CC1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024348894	0	44	0.0	-67.33	356.10	3.67	-63.66
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1CC(C)(C)O	REAL300024348896	1	45	0.0	-63.67	351.11	0.62	-63.05
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1CC(C)(C)O	REAL300024348896	1	45	0.0	-68.92	347.14	0.76	-68.16
CC1C[N@H+](CC(C)(C)O)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024348901	1	45	0.0	-68.46	350.95	0.94	-67.52
CC1C[N@@H+](CC(C)(C)O)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024348901	1	45	0.0	-66.75	348.96	0.79	-65.96
CC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1CCO	REAL300024348902	1	42	0.0	-64.01	326.83	-0.71	-64.72
CC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1CCO	REAL300024348902	1	42	0.0	-65.28	325.32	-0.39	-65.67
CC1=CC=CC=C1C(C(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024348931	0	47	0.0	-63.98	367.02	4.09	-59.89
CCN(CCC[NH+](CC)CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024348949	0	46	0.0	-64.25	362.78	4.07	-60.18
CCN(CCC[NH+]1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024348950	0	44	0.0	-64.96	353.48	4.03	-60.93
CN1CC[NH+](CCC(C)(C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024348969	0	49	0.0	-71.83	378.15	0.23	-71.60
C[NH+]1CCN(CCC(C)(C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024348969	1	49	0.0	-69.71	378.54	0.34	-69.37
CCCN(CCC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024348988	0	43	0.0	-66.51	353.05	3.73	-62.78
C[NH+](C)CCC1=CC=CC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024349002	0	41	0.0	-71.65	344.50	3.72	-67.93
CC(C)(CC[NH+]1CCCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024349024	0	50	0.0	-72.00	371.69	3.01	-68.99
O=C(CSC1=NNC(=O)[N-]1)NCC[N@@H+]1CCCOCC1	REAL300024349062	1	39	0.0	-69.39	318.48	-0.66	-70.05
O=C(CSC1=NNC(=O)[N-]1)NCC[N@H+]1CCCOCC1	REAL300024349062	1	39	0.0	-71.53	315.76	-0.85	-72.38
CC(CC[NH+]1CCN(C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024349085	0	46	0.0	-68.99	371.35	0.22	-68.77
CC(CCN1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024349085	1	46	0.0	-68.01	371.75	0.32	-67.69
CN(C(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C[NH+]1CCCCCC1	REAL300024349092	0	50	0.0	-68.96	356.86	4.00	-64.96
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C1=CC=CC=C1)[NH+](C)C	REAL300024349098	0	44	0.0	-64.83	356.11	3.81	-61.02
CC[NH+]1CCN(C2=CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)=C2)CC1	REAL300024349116	0	47	0.0	-72.38	377.98	2.49	-69.89
C[NH+](C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300024349122	0	44	0.0	-75.46	382.46	3.73	-71.73
COC(=O)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+](C)C1	REAL300024351453	1	41	0.0	-72.65	335.82	2.42	-70.23
COC(=O)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+](C)C1	REAL300024351453	1	41	0.0	-67.33	335.77	2.08	-65.25
CC[NH+]1CCN(CC(C)(C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024351460	0	49	0.0	-66.40	375.48	2.03	-64.37
CCO[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024351465	0	52	0.0	-71.98	431.59	3.82	-68.16
CCO[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024351465	1	52	0.0	-72.45	431.01	3.81	-68.64
COC1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=CC=C1OCC[NH+](C)C	REAL300024351470	0	46	0.0	-66.88	385.29	2.30	-64.58
CC[NH+]1CCC(N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024351486	0	53	0.0	-65.47	395.62	3.71	-61.76
CN(C(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C[NH+]1CCCC1	REAL300024351547	0	44	0.0	-68.80	331.14	3.03	-65.77
COCC(C)(C)[NH+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024351554	1	45	0.0	-66.70	349.13	1.45	-65.25
O=C(CSC1=NNC(=O)[N-]1)N1C[C@H]2CC[N@H+](CC3=CC=CC=C3)[C@H]2C1	REAL300024351557	0	46	0.0	-70.72	375.26	5.24	-65.48
O=C(CSC1=NNC(=O)[N-]1)N1C[C@H]2CC[N@@H+](CC3=CC=CC=C3)[C@H]2C1	REAL300024351557	1	46	0.0	-69.55	371.14	4.92	-64.63
CC(C)(C)[N@@H+]1CCC2=C(C1)SC(NC(=O)CSC1=NNC(=O)[N-]1)=N2	REAL300024351565	0	44	0.0	-68.72	364.37	3.11	-65.61
CC(C)(C)[N@H+]1CCC2=C(C1)SC(NC(=O)CSC1=NNC(=O)[N-]1)=N2	REAL300024351565	1	44	0.0	-68.76	364.32	3.11	-65.65
COCC[N@@H+]1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024351586	0	42	0.0	-68.61	341.34	0.74	-67.87
COCC[N@H+]1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024351586	1	42	0.0	-68.78	345.38	0.19	-68.59
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H](O)C[NH+]1CCCCC1	REAL300024351589	0	42	0.0	-68.64	344.93	-1.40	-70.04
CC(C)[N@H+](CCO)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024351626	0	51	0.0	-67.65	382.20	1.32	-66.33
CC(C)[N@@H+](CCO)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024351626	1	51	0.0	-67.81	379.17	1.65	-66.16
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(SCC[NH+]2CCCCC2)C=C1	REAL300024351639	0	49	0.0	-67.84	408.94	5.78	-62.06
O=C(CSC1=NNC(=O)[N-]1)NC1CC([NH+]2CCOCC2)C1	REAL300024351648	1	40	0.0	-70.08	332.74	-0.05	-70.13
O=C(CSC1=NNC(=O)[N-]1)NC1C2=CC=CC=C2CCC1[NH+]1CCCC1	REAL300024351650	0	49	0.0	-65.99	388.58	5.38	-60.61
CC(C)N(C(=O)CSC1=NNC(=O)[N-]1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300024351659	0	51	0.0	-61.32	403.40	6.68	-54.64
CC(C)N(C(=O)CSC1=NNC(=O)[N-]1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300024351659	1	51	0.0	-61.27	403.49	6.69	-54.58
CC1C(=O)N(CC[NH+](C)C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024351667	0	42	0.0	-70.79	355.54	2.01	-68.78
C[NH+]1CCC2(CC1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2	REAL300024351680	0	43	0.0	-66.00	338.63	1.93	-64.07
C[N@@H+]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C2=CC=CC=C2)C1	REAL300024351695	0	45	0.0	-72.21	374.51	3.77	-68.44
C[N@H+]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C2=CC=CC=C2)C1	REAL300024351695	1	45	0.0	-74.47	375.62	3.69	-70.78
COCC[N@H+]1[C@H](C)CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C	REAL300024351739	1	45	0.0	-64.63	346.62	1.73	-62.90
COCC[N@@H+]1[C@H](C)CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C	REAL300024351739	1	45	0.0	-65.06	347.56	1.21	-63.85
O=C(CSC1=NNC(=O)[N-]1)NC1C2CC3CC1C[NH+](C3)C2	REAL300024351763	0	40	0.0	-70.03	311.27	1.76	-68.27
C[NH+]1CCC(N(CCO)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024351863	0	42	0.0	-61.41	335.75	-0.09	-61.50
C[N@@H+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C(C)(C)C	REAL300024351899	1	44	0.0	-67.25	328.19	2.70	-64.55
C[N@H+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C(C)(C)C	REAL300024351899	1	44	0.0	-67.25	327.74	2.70	-64.55
O=C(CSC1=NNC(=O)[N-]1)NC1CCC[N@@H+]2CCCCC12	REAL300024351925	0	42	0.0	-66.98	330.64	2.84	-64.14
O=C(CSC1=NNC(=O)[N-]1)NC1CCC[N@H+]2CCCCC12	REAL300024351925	1	42	0.0	-66.83	334.86	2.33	-64.50
CC(C)[N@H+](C)CC1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024351935	0	44	0.0	-67.69	360.95	3.81	-63.88
CC(C)[N@@H+](C)CC1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024351935	1	44	0.0	-67.06	360.90	3.82	-63.24
CCC(C)(C)[NH+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024351938	0	44	0.0	-65.18	331.76	2.73	-62.45
N#CC1=CC=CC(C[NH+]2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)=C1	REAL300024351961	0	46	0.0	-82.87	392.47	4.34	-78.53
O=C(CSC1=NNC(=O)[N-]1)NC1=C[NH+]=CC=C1NC1=CC=CC=C1	REAL300024351974	1	38	0.0	-57.86	332.19	1.96	-55.90
CC1(C)C(NC(=O)CSC2=NNC(=O)[N-]2)CC1[NH+]1CCOCC1	REAL300024351984	1	46	0.0	-68.20	362.57	1.15	-67.05
COCC[NH+](CCOC)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024351991	1	46	0.0	-68.85	374.53	0.35	-68.50
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+](CC2=CC=CC=C2)C1	REAL300024351996	0	45	0.0	-72.72	370.27	3.70	-69.02
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300024351996	1	45	0.0	-71.87	368.95	3.70	-68.17
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300024352004	0	38	0.0	-69.15	336.98	1.77	-67.38
COCC[N@@H+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024352012	1	45	0.0	-66.92	351.27	2.00	-64.92
COCC[N@H+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024352012	1	45	0.0	-66.90	351.22	1.98	-64.92
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C(C)[N@@H+]1CC1=CC=CC=C1	REAL300024352024	0	51	0.0	-65.60	385.10	5.89	-59.71
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C(C)[N@H+]1CC1=CC=CC=C1	REAL300024352024	1	51	0.0	-65.07	392.04	6.23	-58.84
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(SCC[NH+]2CCCC2)C=C1	REAL300024352029	0	46	0.0	-73.23	393.45	5.11	-68.12
C[NH+](C)CCN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1=O	REAL300024352049	0	42	0.0	-69.76	348.34	1.36	-68.40
CC(C)C[N@H+](C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024352064	0	43	0.0	-69.33	350.15	2.03	-67.30
CC(C)C[N@@H+](C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024352064	1	43	0.0	-69.33	350.15	2.03	-67.30
O=C(CSC1=NNC(=O)[N-]1)N1CCOC2CC[N@H+](CC3=CC=CC=C3)CC21	REAL300024352068	0	50	0.0	-58.90	384.04	3.83	-55.07
O=C(CSC1=NNC(=O)[N-]1)N1CCOC2CC[N@@H+](CC3=CC=CC=C3)CC21	REAL300024352068	1	50	0.0	-58.76	394.93	4.38	-54.38
C[N@@H+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(CC2=CC=CC=C2)C1	REAL300024352077	1	45	0.0	-69.10	356.03	4.49	-64.61
C[N@H+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(CC2=CC=CC=C2)C1	REAL300024352077	1	45	0.0	-69.02	355.93	4.48	-64.54
CC[N@H+](CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CCCCC1	REAL300024352108	0	50	0.0	-68.32	382.30	3.29	-65.03
CC[N@@H+](CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CCCCC1	REAL300024352108	1	50	0.0	-68.31	383.20	3.33	-64.98
CCCCC[N@H+](CCNC(=O)CSC1=NNC(=O)[N-]1)CC1=CC=CC=C1	REAL300024352114	0	53	0.0	-69.88	419.37	5.07	-64.81
CCCCC[N@@H+](CCNC(=O)CSC1=NNC(=O)[N-]1)CC1=CC=CC=C1	REAL300024352114	1	53	0.0	-69.85	419.62	5.08	-64.77
O=C(CSC1=NNC(=O)[N-]1)N1CC2CCC1C1C[N@H+](CC3=CC=CC=C3)CC12	REAL300024353067	0	53	0.0	-75.06	404.76	7.15	-67.91
O=C(CSC1=NNC(=O)[N-]1)N1CC2CCC1C1C[N@@H+](CC3=CC=CC=C3)CC12	REAL300024353067	1	53	0.0	-69.55	406.93	7.92	-61.63
CC1=CC=CC=C1C1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[NH2+]1	REAL300024353071	1	42	0.0	-74.30	342.51	3.00	-71.30
CCC1([NH+]2CCOCC2)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024353101	0	49	0.0	-68.29	351.49	1.98	-66.31
CC(C1=CC=CC=C1)[NH+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024353116	1	45	0.0	-67.97	362.04	5.08	-62.89
CC1([NH+]2CCCC2)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024353127	0	45	0.0	-65.75	337.21	3.18	-62.57
CCC1([NH+](C)C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024353132	0	44	0.0	-68.50	318.58	2.56	-65.94
C[N@H+](CC1=CC=CC=C1)C1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024353962	0	54	0.0	-67.51	407.33	5.38	-62.13
C[N@@H+](CC1=CC=CC=C1)C1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024353962	1	54	0.0	-67.62	407.68	5.42	-62.20
CC1([NH+]2CCCCC2)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024353973	0	48	0.0	-65.76	352.16	3.86	-61.90
C[C@]12CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300024353977	0	49	0.0	-67.42	395.29	6.34	-61.08
C[C@]12CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300024353977	1	49	0.0	-66.30	397.74	5.74	-60.56
C[N@H+](CC1=CC=CC=C1)C1(CNC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300024353996	0	52	0.0	-67.16	396.17	3.85	-63.31
C[N@@H+](CC1=CC=CC=C1)C1(CNC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300024353996	1	52	0.0	-69.40	399.46	3.06	-66.34
CCOC(CNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024354030	0	41	0.0	-69.32	343.14	0.09	-69.23
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1	REAL300024354093	0	49	0.0	-67.61	371.56	1.47	-66.14
C[NH+](C)CC1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1C(F)(F)F	REAL300024354104	0	41	0.0	-69.12	355.07	3.60	-65.52
C[NH+]1CC(N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024354108	1	41	0.0	-70.47	333.55	0.13	-70.34
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C1CCCC1	REAL300024354125	0	45	0.0	-65.22	342.43	3.53	-61.69
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C1CCCC1	REAL300024354125	1	45	0.0	-65.32	343.29	3.59	-61.73
CCCC1=[NH+]C=CN1CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024357272	1	42	0.0	-63.96	359.22	2.71	-61.25
O=C(CSC1=NNC(=O)[N-]1)N1CC23CCCC2(C1)C[NH+](CC1=CC=CC=C1)C3	REAL300024357282	0	53	0.0	-78.67	415.97	6.57	-72.10
C[NH+]1CC23CCCC2(CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024357311	0	43	0.0	-74.75	335.75	2.94	-71.81
O=C(CSC1=NNC(=O)[N-]1)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300024357314	0	42	0.0	-64.87	357.73	3.47	-61.40
C[N@@H+]1CCC2=CC=C(NC(=O)CSC3=NNC(=O)[N-]3)C=C2C1	REAL300024357352	0	39	0.0	-73.67	329.47	3.07	-70.60
C[N@H+]1CCC2=CC=C(NC(=O)CSC3=NNC(=O)[N-]3)C=C2C1	REAL300024357352	1	39	0.0	-73.56	329.18	3.07	-70.49
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024357453	0	39	0.0	-72.61	324.96	-0.77	-73.38
C[NH+]1CCN(C(CNC(=O)CSC2=NNC(=O)[N-]2)C2=CC=C(F)C=C2)CC1	REAL300024357457	0	50	0.0	-67.92	400.55	2.88	-65.04
C[NH+](C)CCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024357462	0	43	0.0	-68.59	357.98	2.25	-66.34
O=C(CSC1=NNC(=O)[N-]1)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300024357464	0	52	0.0	-64.81	409.68	5.09	-59.72
O=C(CSC1=NNC(=O)[N-]1)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300024357464	1	52	0.0	-64.89	411.49	5.31	-59.58
C[N@@H+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C2(CCOCC2)CC1	REAL300024357504	0	46	0.0	-71.06	338.16	2.33	-68.73
C[N@H+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C2(CCOCC2)CC1	REAL300024357504	1	46	0.0	-69.47	334.30	1.96	-67.51
O=C(CSC1=NNC(=O)[N-]1)NCCCN1C=[NH+]C2=C1CCCC2	REAL300024357532	1	43	0.0	-65.34	363.73	3.95	-61.39
CCC1=[NH+]C=CN1CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024357536	1	39	0.0	-61.31	340.38	2.11	-59.20
O=C(CSC1=NNC(=O)[N-]1)NC1C[N@H+](CC2=CC=CC=C2)C2(CCC2)C1	REAL300024357592	0	49	0.0	-63.89	394.35	4.68	-59.21
O=C(CSC1=NNC(=O)[N-]1)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCC2)C1	REAL300024357592	1	49	0.0	-63.13	392.21	4.59	-58.54
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300024357593	0	45	0.0	-67.37	355.10	2.88	-64.49
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300024357593	1	45	0.0	-67.78	351.09	3.42	-64.36
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C[N@H+](CC2=CC=CC=C2)C1	REAL300024357655	0	51	0.0	-68.86	399.95	6.84	-62.02
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C[N@@H+](CC2=CC=CC=C2)C1	REAL300024357655	1	51	0.0	-70.92	392.31	6.61	-64.31
O=C(CSC1=NNC(=O)[N-]1)N1CC[N@H+](CC2=CC=CC=C2)C(C2CCC2)C1	REAL300024357661	0	52	0.0	-67.24	407.43	6.68	-60.56
O=C(CSC1=NNC(=O)[N-]1)N1CC[N@@H+](CC2=CC=CC=C2)C(C2CCC2)C1	REAL300024357661	1	52	0.0	-70.76	401.77	6.76	-64.00
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300024357728	0	41	0.0	-67.13	342.93	1.59	-65.54
O=C(CSC1=NNC(=O)[N-]1)NC1=C(C(F)F)N(C2=CC=[NH+]C=C2)N=C1	REAL300024357839	1	36	0.0	-70.47	331.75	1.16	-69.31
C[NH+](C)CCCN(CCC(N)=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024357864	0	44	0.0	-70.18	369.23	-0.23	-70.41
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1COC[C@H]1[NH+]1CCCC1	REAL300024357881	0	40	0.0	-67.24	322.85	-0.80	-68.04
O=C(CSC1=NNC(=O)[N-]1)N1CCC[NH2+]C(C2=CC=CC=C2)C1	REAL300024357884	0	42	0.0	-71.42	342.64	3.73	-67.69
C[NH+](C)CCN1C=NC2=CC(NC(=O)CSC3=NNC(=O)[N-]3)=CC=C21	REAL300024357902	0	44	0.0	-79.21	376.41	4.26	-74.95
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024357904	0	54	0.0	-73.52	435.38	4.60	-68.92
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024357904	1	54	0.0	-75.42	438.98	4.83	-70.59
COC1=CC(C)=[NH+]C(C)=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024357911	1	36	0.0	-59.92	320.98	0.25	-59.67
C[NH+]1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2CO)CC1	REAL300024357918	0	49	0.0	-79.16	365.21	0.38	-78.78
CN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300024357926	0	48	0.0	-62.99	382.00	6.24	-56.75
C[NH+]1CCC(C2=CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)=C2)CC1	REAL300024357931	0	45	0.0	-73.37	368.29	4.36	-69.01
CC(C)(CC[NH+]1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024357932	0	44	0.0	-70.48	346.00	2.10	-68.38
C[N@@H+]1CCOCC2(COCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024357936	0	44	0.0	-61.54	330.79	2.35	-59.19
C[N@H+]1CCOCC2(COCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024357936	1	44	0.0	-53.23	330.45	0.49	-52.74
O=C(CSC1=NNC(=O)[N-]1)N1CC[N@@H+]2CCCC2C12CCC2	REAL300024358001	0	43	0.0	-66.57	326.50	3.18	-63.39
O=C(CSC1=NNC(=O)[N-]1)N1CC[N@H+]2CCCC2C12CCC2	REAL300024358001	1	43	0.0	-66.67	326.30	3.33	-63.34
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300024358052	0	41	0.0	-66.24	339.00	1.05	-65.19
CC(C)(C)[N@@H+]1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024358087	0	44	0.0	-64.38	341.92	1.75	-62.63
CC(C)(C)[N@H+]1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024358087	1	44	0.0	-64.60	337.89	2.27	-62.33
C[N@@H+]1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC12CCOCC2	REAL300024358235	0	43	0.0	-65.61	337.55	-0.30	-65.91
C[N@H+]1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC12CCOCC2	REAL300024358235	1	43	0.0	-65.68	338.51	-0.11	-65.79
CC(C)[N@H+](CCNC(=O)CSC1=NNC(=O)[N-]1)CC1=CC=CO1	REAL300024358260	0	44	0.0	-68.95	353.15	1.52	-67.43
CC(C)[N@@H+](CCNC(=O)CSC1=NNC(=O)[N-]1)CC1=CC=CO1	REAL300024358260	1	44	0.0	-69.32	355.88	1.91	-67.41
C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024358308	1	42	0.0	-64.75	329.80	-0.66	-65.41
C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024358308	1	42	0.0	-65.50	326.89	-0.31	-65.81
O=C(CSC1=NNC(=O)[N-]1)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300024358336	0	48	0.0	-65.29	368.07	3.59	-61.70
O=C(CSC1=NNC(=O)[N-]1)NCC1CCC[N@H+](C2CCCC2)C1	REAL300024358336	1	48	0.0	-65.34	368.07	3.58	-61.76
C[NH+](C)CCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024358370	0	42	0.0	-67.32	342.82	1.48	-65.84
C[NH+](C)C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300024358390	0	41	0.0	-61.45	346.22	3.01	-58.44
C[NH+](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C2(C1)CCOCC2	REAL300024358433	0	46	0.0	-74.99	348.66	2.38	-72.61
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCC2=[NH+]C=CN21	REAL300024358500	1	37	0.0	-60.88	313.67	1.96	-58.92
C[NH+](C)CC1CC2(CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024358560	0	42	0.0	-66.77	344.54	3.13	-63.64
CCCC1=[NH+]C=CN1C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024358632	1	46	0.0	-60.44	377.02	4.97	-55.47
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024358666	1	48	0.0	-70.45	377.57	5.71	-64.74
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024358666	1	48	0.0	-70.35	377.46	5.71	-64.64
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCC2=[NH+]C=CN21	REAL300024358749	1	37	0.0	-60.88	313.67	1.96	-58.92
C[N@@H+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C1COC1	REAL300024358828	1	40	0.0	-72.85	318.07	0.28	-72.57
C[N@H+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C1COC1	REAL300024358828	1	40	0.0	-72.64	318.79	0.16	-72.48
CC1(C)CC(NC(=O)CSC2=NNC(=O)[N-]2)C[N@@H+]1CC1=CC=CC=C1	REAL300024358860	0	48	0.0	-64.83	387.54	4.00	-60.83
CC1(C)CC(NC(=O)CSC2=NNC(=O)[N-]2)C[N@H+]1CC1=CC=CC=C1	REAL300024358860	1	48	0.0	-64.72	387.65	3.98	-60.74
C[NH+](C)CC1=CC=C(CCNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024358933	0	44	0.0	-70.24	373.86	3.53	-66.71
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300024358947	0	48	0.0	-71.25	381.21	4.58	-66.67
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300024358947	1	48	0.0	-70.39	382.26	4.50	-65.89
CC1=NC(N2CC[NH+](C)CC2)=CC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024358985	0	46	0.0	-70.23	375.84	2.01	-68.22
CCC[N@H+](CCNC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024359032	0	43	0.0	-66.30	337.81	1.30	-65.00
CCC[N@@H+](CCNC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024359032	1	43	0.0	-66.00	338.38	1.39	-64.61
C[C@@H]1C[N@H+](C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C[C@H](C)O1	REAL300024359147	0	49	0.0	-70.39	380.13	2.99	-67.40
C[C@@H]1C[N@@H+](C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C[C@H](C)O1	REAL300024359147	1	49	0.0	-70.89	373.21	3.01	-67.88
COC1C[N@@H+]2CCCC2(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024601351	0	50	0.0	-67.86	406.18	-1.65	-69.51
COC1C[N@H+]2CCCC2(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024601351	1	50	0.0	-70.95	408.61	-1.32	-72.27
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)CC1=CC2=C[NH+]=CN2C=C1	REAL300024601369	0	43	0.0	-70.98	385.13	1.90	-69.08
C[N@H+](CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C1CCSC1	REAL300024601406	0	46	0.0	-77.02	391.44	-0.06	-77.08
C[N@@H+](CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C1CCSC1	REAL300024601406	1	46	0.0	-77.19	390.06	-0.07	-77.26
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C[NH+]1CCC1	REAL300024601407	1	39	0.0	-71.49	340.82	-1.87	-73.36
C[NH+](C)CC1=CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=CC=N1	REAL300024601451	1	47	0.0	-72.02	404.85	-0.64	-72.66
C[N@@H+]1CCC(=CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024601453	0	43	0.0	-75.03	369.57	-0.74	-75.77
C[N@H+]1CCC(=CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024601453	1	43	0.0	-75.01	369.57	-0.74	-75.75
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1C[NH+](C2CCCCC2)C1	REAL300024601484	0	52	0.0	-71.86	422.14	1.06	-70.80
C[NH+](C)CCOCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024601505	0	45	0.0	-71.78	386.59	-1.22	-73.00
CCCCC[N@H+](C)CCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024601513	0	53	0.0	-74.59	435.32	1.23	-73.36
CCCCC[N@@H+](C)CCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024601513	1	53	0.0	-74.59	435.32	1.23	-73.36
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024601525	0	49	0.0	-71.97	409.42	-0.26	-72.23
C=CCC(C)(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024601537	0	48	0.0	-65.94	386.10	-0.23	-66.17
C[S+](C)CCC(O)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024601542	0	44	0.0	-74.98	395.58	-2.63	-77.61
C[N@@H+]1CC(O)CC1(C)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024601585	0	46	0.0	-74.19	378.59	-3.86	-78.05
CN1CC[N@H+](C)CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024601600	0	50	0.0	-69.43	401.93	-2.53	-71.96
CN1CC[N@@H+](C)CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024601600	1	50	0.0	-69.43	401.93	-2.53	-71.96
CC(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)[N@@H+]1CCCC(O)C1	REAL300024601601	0	49	0.0	-70.46	401.60	-3.39	-73.85
C[N@@H+]1CCCC(O)(CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024601630	0	49	0.0	-67.64	401.04	-1.94	-69.58
C[N@H+]1CCCC(O)(CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024601630	1	49	0.0	-67.64	401.04	-1.94	-69.58
CC1CN(CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024601634	0	42	0.0	-71.37	361.99	-1.20	-72.57
CC1C[NH+](CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024601634	1	42	0.0	-71.37	361.99	-1.20	-72.57
CN(CCO)CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024601667	0	42	0.0	-71.94	358.80	-4.86	-76.80
C[N@H+](CCO)CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024601667	1	42	0.0	-71.57	358.59	-4.86	-76.43
C[N@@H+](CCO)CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024601667	1	42	0.0	-71.57	358.59	-4.86	-76.43
C[NH+]1C2CCC1CC(=CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024601701	0	50	0.0	-71.18	403.76	0.66	-70.52
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1C[N@@H+]2CCN1CCC2	REAL300024601706	0	48	0.0	-78.90	377.53	-2.49	-81.39
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1C[N@H+]2CCN1CCC2	REAL300024601706	1	48	0.0	-78.90	377.53	-2.49	-81.39
CC[N@@H+]1CCCC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024601717	0	48	0.0	-70.30	392.97	-0.01	-70.31
CC[N@H+]1CCCC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024601717	1	48	0.0	-70.30	392.97	-0.01	-70.31
CC(CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024601719	0	47	0.0	-75.61	387.86	-0.31	-75.92
CC[N@H+](C)CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024601737	0	41	0.0	-71.02	348.45	-1.62	-72.64
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C12CCC[N@@H+]1CCCC2	REAL300024601769	0	49	0.0	-65.63	384.82	0.27	-65.36
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C12CCC[N@H+]1CCCC2	REAL300024601769	1	49	0.0	-65.63	384.82	0.27	-65.36
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C12CCC[N@@H+]1CC=CC2	REAL300024601779	0	47	0.0	-70.69	376.72	0.59	-70.10
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C12CCC[N@H+]1CC=CC2	REAL300024601779	1	47	0.0	-70.69	376.72	0.59	-70.10
CC[N@H+](CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024601812	0	45	0.0	-69.74	372.12	-0.38	-70.12
CC[NH+](CC)CCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024601837	0	47	0.0	-72.18	384.32	-0.65	-72.83
CC1(C)CN(CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024601878	0	45	0.0	-71.43	381.56	-0.62	-72.05
CC1(C)C[NH+](CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024601878	1	45	0.0	-71.43	381.56	-0.62	-72.05
O=C(CCCC[NH+]1CCCCC1)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024601884	0	54	0.0	-73.00	437.27	1.70	-71.30
CC1(O)CC[N@H+](CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024601922	0	46	0.0	-71.61	386.94	-3.89	-75.50
C[NH+](C)CC=CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024601935	0	42	0.0	-75.62	367.95	-1.04	-76.66
CC(OCC[NH+](C)C)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024601966	0	48	0.0	-72.18	406.38	-0.55	-72.73
C[NH+](C)CCOCCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024601979	0	48	0.0	-71.98	407.55	-1.50	-73.48
COCCN(C)CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024601980	0	45	0.0	-71.44	380.84	-2.46	-73.90
COCC[N@H+](C)CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024601980	1	45	0.0	-72.09	381.06	-2.46	-74.55
COCC[N@@H+](C)CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024601980	1	45	0.0	-72.09	381.06	-2.46	-74.55
COCCCC[N@H+](C)CCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024602018	0	54	0.0	-77.42	447.49	-0.48	-77.90
COCCCC[N@@H+](C)CCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024602018	1	54	0.0	-77.42	447.49	-0.48	-77.90
C[NH+](C)C1(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024602046	0	48	0.0	-73.88	381.84	-0.09	-73.97
CC(CCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024602049	0	47	0.0	-71.64	388.01	-0.56	-72.20
CCN1CCC1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024602060	0	42	0.0	-69.04	355.52	-1.56	-70.60
CC[N@@H+]1CCC1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024602060	1	42	0.0	-70.08	362.35	-1.26	-71.34
CC[N@H+]1CCC1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024602060	1	42	0.0	-70.08	362.35	-1.26	-71.34
CC(C)[N@@H+]1CCCC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024602076	0	51	0.0	-64.75	403.35	0.70	-64.05
CC(C)[N@H+]1CCCC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024602076	1	51	0.0	-64.75	403.35	0.70	-64.05
CN1C=CN=C1N1CCC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024602077	0	49	0.0	-64.66	416.82	0.15	-64.51
CN1C=C[NH+]=C1N1CCC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024602077	1	49	0.0	-64.66	416.82	0.15	-64.51
CC(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)[N@H+](C)CC1=CC=CC=C1	REAL300024602084	0	51	0.0	-71.53	425.61	1.72	-69.81
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C[N@H+]1CCCC1CO	REAL300024602093	0	46	0.0	-70.57	383.73	-3.73	-74.30
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CC2CCCC[N@@H+]2C1	REAL300024602126	0	49	0.0	-71.21	398.22	0.47	-70.74
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CC2CCCC[N@H+]2C1	REAL300024602126	1	49	0.0	-71.21	398.22	0.47	-70.74
C[NH+]1CCC(C)(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024602137	0	48	0.0	-70.13	387.98	-0.21	-70.34
C[NH+](C)CC1=CNC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024602144	0	46	0.0	-76.02	397.11	-0.96	-76.98
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024609622	0	49	0.0	-71.97	409.42	-0.26	-72.23
[NH2+]=C1SC=CN1CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609659	0	38	0.0	-67.66	357.79	-2.11	-69.77
C[C@@H](OCC[NH+](C)C)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609781	0	48	0.0	-70.17	406.39	-0.54	-70.71
C[NH+]1CCC(O)(C2(C(=O)NCCNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024609786	0	53	0.0	-69.56	421.26	-1.36	-70.92
O=C(CC[NH+]1CCCCCC1)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609880	0	51	0.0	-74.10	404.74	0.34	-73.76
C[N@@H+]1CCCC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024609888	0	45	0.0	-71.98	375.29	-0.67	-72.65
C[N@H+]1CCCC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024609888	1	45	0.0	-71.98	375.29	-0.67	-72.65
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C[NH+]1CCCCCC1	REAL300024609896	0	48	0.0	-70.69	381.79	-0.23	-70.92
CN1C=C[N+](CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024609903	0	40	0.0	-69.31	361.95	1.22	-68.09
C[N@@H+]1CCCC(C(C)(C)C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024609926	0	54	0.0	-73.34	420.72	0.84	-72.50
C[N@H+]1CCCC(C(C)(C)C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024609926	1	54	0.0	-73.34	420.72	0.84	-72.50
CN(C)CC1=CC=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024609932	0	45	0.0	-77.59	395.30	-0.48	-78.07
C[NH+](C)CC1=CC=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024609932	1	45	0.0	-77.59	395.30	-0.48	-78.07
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)CN1CCC(O)CC1	REAL300024609966	0	46	0.0	-75.65	383.54	-3.77	-79.42
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C[NH+]1CCC(O)CC1	REAL300024609966	1	46	0.0	-75.65	383.54	-3.77	-79.42
C[N@H+](CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024609974	0	42	0.0	-69.08	360.12	-0.88	-69.96
CC(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)N1CCN(C)CC1	REAL300024609976	0	50	0.0	-71.78	403.98	-2.45	-74.23
CC(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)N1CC[NH+](C)CC1	REAL300024609976	1	50	0.0	-71.78	403.98	-2.45	-74.23
O=C(CC[N@H+]1CCC(F)C1)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609984	0	45	0.0	-76.97	384.76	-0.53	-77.50
COC1C[N@H+](C)C(C)(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024610003	0	49	0.0	-72.41	400.39	-1.62	-74.03
C[NH+](C)CCC1=CC=CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024610026	0	51	0.0	-75.85	431.37	2.04	-73.81
CC(CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024610033	0	47	0.0	-75.61	387.86	-0.31	-75.92
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CC[N@@H+]2CCOCC12	REAL300024610060	0	47	0.0	-69.14	385.95	-1.96	-71.10
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CC[N@H+]2CCOCC12	REAL300024610060	1	47	0.0	-69.14	385.95	-1.96	-71.10
CN1CCOCC1CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024610096	0	46	0.0	-68.36	373.85	-2.61	-70.97
C[N@@H+]1CCOCC1CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024610096	1	46	0.0	-68.37	373.85	-2.61	-70.98
C[N@H+]1CCOCC1CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024610096	1	46	0.0	-68.37	373.85	-2.61	-70.98
C[NH+](C)CC(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300024610108	0	51	0.0	-76.57	426.98	1.81	-74.76
CC(CNC(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750411	0	52	0.0	-68.87	429.44	0.73	-68.14
C=CCC(C)(C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024750418	0	51	0.0	-65.43	402.49	1.72	-63.71
CC(CNC(=O)C(O)CC[S+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750423	0	47	0.0	-68.46	415.38	-1.54	-70.00
CC(CNC(=O)C1(C)CC(O)C[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750453	0	49	0.0	-67.69	398.91	-3.10	-70.79
CC(CNC(=O)C1CN(C)CC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750467	0	53	0.0	-66.63	420.90	-1.06	-67.69
CC(CNC(=O)C1CN(C)CC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750467	1	53	0.0	-66.63	420.90	-1.06	-67.69
CC(CNC(=O)C(C)[N@@H+]1CCCC(O)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750468	0	52	0.0	-64.69	419.50	-2.11	-66.80
CC(CNC(=O)CN1CCC(CO)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750481	0	52	0.0	-68.75	424.32	-2.01	-70.76
CC(CNC(=O)C[NH+]1CCC(CO)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750481	1	52	0.0	-68.75	424.32	-2.01	-70.76
CC(CNC(=O)CC1(O)CCC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750490	0	52	0.0	-65.10	411.14	-1.05	-66.15
CC(CNC(=O)CC1(O)CCC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750490	1	52	0.0	-65.10	411.14	-1.05	-66.15
CC(CNC(=O)CN1CC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750493	0	45	0.0	-67.14	381.80	-0.10	-67.24
CC(CNC(=O)C[NH+]1CC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750493	1	45	0.0	-67.14	381.80	-0.10	-67.24
CC(CNC(=O)CN(C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750521	0	45	0.0	-67.70	378.62	-3.77	-71.47
CC(CNC(=O)C[N@H+](C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750521	1	45	0.0	-67.18	378.40	-3.76	-70.94
CC(CNC(=O)C[N@@H+](C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750521	1	45	0.0	-67.18	378.40	-3.76	-70.94
CC(CNC(=O)C=C1CC2CCC(C1)[NH+]2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750542	0	53	0.0	-67.82	423.57	1.73	-66.09
CC(CNC(=O)C1C[N@@H+]2CCN1CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750547	0	51	0.0	-71.11	400.15	-1.41	-72.52
CC(CNC(=O)C1C[N@H+]2CCN1CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750547	1	51	0.0	-71.11	400.15	-1.41	-72.52
CC[N@@H+]1CCCC(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024750554	0	51	0.0	-66.03	412.78	1.08	-64.95
CC[N@H+]1CCCC(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024750554	1	51	0.0	-66.03	412.78	1.08	-64.95
CC(CC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024750556	0	50	0.0	-70.03	407.67	0.78	-69.25
CC[N@H+](C)CC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750571	0	44	0.0	-66.87	368.26	-0.53	-67.40
CC(CNC(=O)C12CCC[N@@H+]1CCCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750599	0	52	0.0	-61.53	404.88	1.38	-60.15
CC(CNC(=O)C12CCC[N@H+]1CCCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750599	1	52	0.0	-61.53	404.88	1.38	-60.15
CC(CNC(=O)C12CCC[N@@H+]1CC=CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750608	0	50	0.0	-63.85	397.13	1.31	-62.54
CC(CNC(=O)C12CCC[N@H+]1CC=CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750608	1	50	0.0	-63.85	397.13	1.31	-62.54
CC[N@H+](CC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024750632	0	48	0.0	-64.32	396.91	0.82	-63.50
CC[NH+](CC)CCC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750655	0	50	0.0	-67.25	408.48	0.72	-66.53
CC(CNC(=O)CCCC[NH+]1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750690	0	57	0.0	-68.43	457.08	2.80	-65.63
CC(CNC(=O)C[N@@H+]1CCC(C)(O)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750721	0	49	0.0	-67.27	406.94	-2.79	-70.06
CC(CNC(=O)C=CC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750730	0	45	0.0	-70.93	386.50	0.01	-70.92
CC(CNC(=O)C(C)OCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750754	0	51	0.0	-68.03	426.19	0.54	-67.49
CC(CNC(=O)CCOCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750765	0	51	0.0	-67.59	427.36	-0.41	-68.00
COCCN(C)CC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750766	0	48	0.0	-67.02	400.65	-1.37	-68.39
COCC[N@H+](C)CC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750766	1	48	0.0	-67.70	400.87	-1.36	-69.06
COCC[N@@H+](C)CC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750766	1	48	0.0	-67.70	400.87	-1.36	-69.06
CC(CNC(=O)C1([NH+](C)C)CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750814	0	51	0.0	-66.76	401.65	1.00	-65.76
CC(CNC(=O)CCC(C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750817	0	50	0.0	-67.69	407.81	0.54	-67.15
CCN1CCC1C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750827	0	45	0.0	-64.97	375.33	-0.47	-65.44
CC[N@@H+]1CCC1C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750827	1	45	0.0	-65.68	382.16	-0.17	-65.85
CC[N@H+]1CCC1C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750827	1	45	0.0	-65.68	382.16	-0.17	-65.85
CC(CNC(=O)C1CCC[N@@H+](C(C)C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750838	0	54	0.0	-64.76	429.43	1.59	-63.17
CC(CNC(=O)C1CCC[N@H+](C(C)C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750838	1	54	0.0	-64.76	429.43	1.59	-63.17
CC(CNC(=O)C[N@@H+]1CCCC1CO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750852	0	49	0.0	-66.41	400.15	-3.14	-69.55
CC(CNC(=O)C1CC2CCCC[N@@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750878	0	52	0.0	-66.69	418.03	1.49	-65.20
CC(CNC(=O)C1CC2CCCC[N@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750878	1	52	0.0	-66.69	418.03	1.49	-65.20
CC(CNC(=O)C1(C)CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750885	0	51	0.0	-66.33	407.79	0.88	-65.45
CC(CNC(=O)C1=CC(C[NH+](C)C)=CN1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750891	0	49	0.0	-70.29	416.90	0.07	-70.22
CC(CNC(=O)C(C)N1CCC(O)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750909	0	52	0.0	-67.60	416.01	-2.43	-70.03
CC(CNC(=O)C(C)[NH+]1CCC(O)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750909	1	52	0.0	-67.60	416.01	-2.43	-70.03
C=CCC(C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024750921	0	48	0.0	-64.14	394.20	0.28	-63.86
CC(CNC(=O)C1CC(C)(C)C[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750938	0	51	0.0	-65.45	410.41	0.51	-64.94
CC(CNC(=O)CCCCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750942	0	53	0.0	-69.49	437.39	1.71	-67.78
CC(CNC(=O)C1C[N@@H+]2CCN1C(C)C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750986	0	51	0.0	-67.74	396.25	-1.53	-69.27
CC(CNC(=O)C1C[N@H+]2CCN1C(C)C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750986	1	51	0.0	-67.74	396.25	-1.53	-69.27
CCCC(C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024750987	0	50	0.0	-66.00	402.44	0.57	-65.43
CC(CNC(=O)C(C)(C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750992	0	47	0.0	-66.09	377.77	-0.01	-66.10
CC(CNC(=O)C1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751037	0	48	0.0	-64.08	392.49	0.40	-63.68
CC(CNC(=O)CC1=CC[N@H+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751084	0	49	0.0	-67.16	409.66	1.13	-66.03
CC(CNC(=O)CC1=CC[N@@H+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751084	1	49	0.0	-67.16	409.66	1.13	-66.03
CC(CNC(=O)CC1([NH+]2CCCC2)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751093	0	52	0.0	-64.41	414.52	1.47	-62.94
CC(CNC(=O)C(C)(C)C1CCC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751145	0	57	0.0	-68.90	440.53	1.92	-66.98
CC(CNC(=O)C(C)(C)C1CCC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751145	1	57	0.0	-69.71	432.88	1.46	-68.25
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1	REAL300024756500	0	52	0.0	-69.47	429.44	0.74	-68.73
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1C=CSC1=[NH2+]	REAL300024756527	0	41	0.0	-64.72	377.60	-1.00	-65.72
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H](C)OCC[NH+](C)C	REAL300024756615	0	51	0.0	-67.91	426.19	0.57	-67.34
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[NH+]1CCCCCC1	REAL300024756679	0	54	0.0	-71.18	424.55	1.43	-69.75
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@H+](C)C1	REAL300024756685	0	48	0.0	-68.55	395.13	0.43	-68.12
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@@H+](C)C1	REAL300024756685	1	48	0.0	-68.55	395.13	0.43	-68.12
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CCCCCC1	REAL300024756692	0	51	0.0	-68.52	401.61	0.85	-67.67
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N+]1=CN(C)C=C1	REAL300024756699	0	43	0.0	-66.85	381.77	2.32	-64.53
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)(C)C1CCC[N@H+](C)C1	REAL300024756716	0	57	0.0	-69.28	440.52	1.93	-67.35
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)(C)C1CCC[N@@H+](C)C1	REAL300024756716	1	57	0.0	-69.28	440.52	1.93	-67.35
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C(CN(C)C)O1	REAL300024756721	0	48	0.0	-71.13	414.02	0.53	-70.60
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C(C[NH+](C)C)O1	REAL300024756721	1	48	0.0	-71.13	414.02	0.53	-70.60
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1CCC(O)CC1	REAL300024756745	0	49	0.0	-72.71	403.35	-2.66	-75.37
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CCC(O)CC1	REAL300024756745	1	49	0.0	-72.71	403.35	-2.66	-75.37
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+](C)C1CC1	REAL300024756751	0	45	0.0	-66.38	379.94	0.22	-66.16
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)N1CCN(C)CC1	REAL300024756753	0	53	0.0	-68.47	423.79	-1.36	-69.83
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)N1CC[NH+](C)CC1	REAL300024756753	1	53	0.0	-68.47	423.79	-1.36	-69.83
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[N@@H+]1CCC(F)C1	REAL300024756757	0	48	0.0	-73.57	404.73	0.62	-72.95
COC1C[N@H+](C)C(C)(C(=O)NC(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024756772	0	52	0.0	-69.46	417.26	-0.48	-69.94
CC(CC(=O)NC(C)CNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024756794	0	50	0.0	-71.04	407.67	0.79	-70.25
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@@H+]2CCOCC12	REAL300024756816	0	50	0.0	-66.84	405.64	-0.86	-67.70
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@H+]2CCOCC12	REAL300024756816	1	50	0.0	-66.84	405.64	-0.86	-67.70
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1COCCN1C	REAL300024756842	0	49	0.0	-65.34	393.66	-1.53	-66.87
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1COCC[N@@H+]1C	REAL300024756842	1	49	0.0	-73.79	401.17	-1.37	-75.16
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1COCC[N@H+]1C	REAL300024756842	1	49	0.0	-73.79	401.17	-1.37	-75.16
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CCC(C)(O)C1	REAL300024756976	0	49	0.0	-67.98	406.57	-2.76	-70.74
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=NN1CC[NH+](C)C	REAL300024756984	0	51	0.0	-68.06	430.07	0.22	-67.84
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1C[NH+](C)C1	REAL300024757017	0	45	0.0	-68.79	381.97	-0.38	-69.17
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@@H+]1C1CCCC1	REAL300024757023	0	52	0.0	-66.89	415.81	1.26	-65.63
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[N@H+](C)CCO	REAL300024757068	0	48	0.0	-69.43	400.93	-3.21	-72.64
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[N@@H+](C)CCO	REAL300024757068	1	48	0.0	-69.43	400.93	-3.21	-72.64
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CCCC[N@@H+]1C	REAL300024757093	0	51	0.0	-69.72	409.78	1.00	-68.72
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CCCC[N@H+]1C	REAL300024757093	1	51	0.0	-69.72	409.78	1.00	-68.72
CC1=C2C=C(C(=O)NC(C)CNC(=O)CSC3=NNC(=O)[N-]3)C=CN2C=N1	REAL300024757121	0	46	0.0	-69.54	402.88	2.90	-66.64
CC1=C2C=C(C(=O)NC(C)CNC(=O)CSC3=NNC(=O)[N-]3)C=CN2C=[NH+]1	REAL300024757121	1	46	0.0	-69.54	402.88	2.90	-66.64
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1CCC1C	REAL300024757127	0	45	0.0	-67.39	381.79	-0.07	-67.46
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CCC1C	REAL300024757127	1	45	0.0	-66.43	376.32	-0.38	-66.81
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+]1CCC1C	REAL300024757127	1	45	0.0	-66.43	376.32	-0.38	-66.81
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=CC[NH+](C)C	REAL300024757144	0	45	0.0	-72.14	386.50	0.04	-72.10
CN(CCNC(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787282	0	52	0.0	-73.89	427.51	1.90	-71.99
C=CCC(C)(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024787289	0	51	0.0	-76.73	402.43	2.77	-73.96
CN(CCNC(=O)C(O)CC[S+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787294	0	47	0.0	-80.94	413.66	-0.47	-81.41
CN(CCNC(=O)C1(C)CC(O)C[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787324	0	49	0.0	-74.82	396.97	-2.06	-76.88
CN(CCNC(=O)C1CN(C)CC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787338	0	53	0.0	-70.72	418.94	0.04	-70.68
CN(CCNC(=O)C1CN(C)CC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787338	1	53	0.0	-70.72	418.94	0.04	-70.68
CC(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[N@@H+]1CCCC(O)C1	REAL300024787339	0	52	0.0	-69.88	419.43	-1.24	-71.12
CN(CCNC(=O)CC1(O)CCC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787361	0	52	0.0	-70.25	409.16	0.01	-70.24
CN(CCNC(=O)CC1(O)CCC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787361	1	52	0.0	-70.25	409.16	0.01	-70.24
CC1CN(CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024787364	0	45	0.0	-72.39	379.82	0.95	-71.44
CC1C[NH+](CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024787364	1	45	0.0	-72.39	379.82	0.95	-71.44
CN(CCO)CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787392	0	45	0.0	-72.53	376.90	-2.70	-75.23
CN(CCNC(=O)C[N@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787392	1	45	0.0	-72.99	376.68	-2.70	-75.69
CN(CCNC(=O)C[N@@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787392	1	45	0.0	-72.99	376.68	-2.70	-75.69
CN(CCNC(=O)C=C1CC2CCC(C1)[NH+]2C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787413	0	53	0.0	-72.34	421.86	2.82	-69.52
CN(CCNC(=O)C1C[N@@H+]2CCN1CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787418	0	51	0.0	-84.74	395.35	-0.34	-85.08
CN(CCNC(=O)C1C[N@H+]2CCN1CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787418	1	51	0.0	-84.74	395.35	-0.34	-85.08
CC[N@@H+]1CCCC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024787425	0	51	0.0	-71.75	410.79	2.14	-69.61
CC[N@H+]1CCCC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024787425	1	51	0.0	-71.75	410.79	2.14	-69.61
CC(CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024787427	0	50	0.0	-79.35	405.96	1.85	-77.50
CC[N@H+](C)CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787442	0	44	0.0	-71.88	366.28	0.53	-71.35
CN(CCNC(=O)C12CCC[N@@H+]1CCCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787470	0	52	0.0	-66.66	402.44	2.47	-64.19
CN(CCNC(=O)C12CCC[N@H+]1CCCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787470	1	52	0.0	-66.66	402.44	2.47	-64.19
CN(CCNC(=O)C12CCC[N@@H+]1CC=CC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787479	0	50	0.0	-74.79	394.82	2.75	-72.04
CN(CCNC(=O)C12CCC[N@H+]1CC=CC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787479	1	50	0.0	-74.79	394.82	2.75	-72.04
CC[N@H+](CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024787503	0	48	0.0	-70.69	389.94	1.76	-68.93
CC[NH+](CC)CCC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787526	0	50	0.0	-74.01	402.42	1.52	-72.49
CN(CCNC(=O)CN1CC(C)(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787555	0	48	0.0	-72.31	399.39	1.53	-70.78
CN(CCNC(=O)C[NH+]1CC(C)(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787555	1	48	0.0	-72.31	399.39	1.53	-70.78
CN(CCNC(=O)CCCC[NH+]1CCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787561	0	57	0.0	-75.38	455.09	3.85	-71.53
CN(CCNC(=O)C[N@@H+]1CCC(C)(O)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787592	0	49	0.0	-73.00	404.95	-1.74	-74.74
CN(CCNC(=O)C=CC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787601	0	45	0.0	-77.33	386.04	1.13	-76.20
CC(OCC[NH+](C)C)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787625	0	51	0.0	-74.24	424.47	1.62	-72.62
CN(CCNC(=O)CCOCC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787636	0	51	0.0	-73.64	425.63	0.68	-72.96
COCCN(C)CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787637	0	48	0.0	-72.86	398.93	-0.30	-73.16
COCC[N@H+](C)CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787637	1	48	0.0	-72.67	399.15	-0.29	-72.96
COCC[N@@H+](C)CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787637	1	48	0.0	-72.67	399.15	-0.29	-72.96
CN(CCNC(=O)C1([NH+](C)C)CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787685	0	51	0.0	-76.46	399.94	2.08	-74.38
CC(CCC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024787688	0	50	0.0	-73.20	406.10	1.60	-71.60
CCN1CCC1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787698	0	45	0.0	-70.31	373.61	0.60	-69.71
CC[N@@H+]1CCC1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787698	1	45	0.0	-71.41	380.18	0.88	-70.53
CC[N@H+]1CCC1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787698	1	45	0.0	-71.41	380.18	0.88	-70.53
CC(C)[N@@H+]1CCCC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024787709	0	54	0.0	-64.53	421.45	2.87	-61.66
CC(C)[N@H+]1CCCC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024787709	1	54	0.0	-64.53	421.45	2.87	-61.66
CN(CCNC(=O)C[N@@H+]1CCCC1CO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787723	0	49	0.0	-71.28	403.39	-1.60	-72.88
CN(CCNC(=O)C1CC2CCCC[N@@H+]2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787749	0	52	0.0	-71.96	416.05	2.61	-69.35
CN(CCNC(=O)C1CC2CCCC[N@H+]2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787749	1	52	0.0	-71.96	416.05	2.61	-69.35
CN(CCNC(=O)C1(C)CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787756	0	51	0.0	-74.28	406.07	1.95	-72.33
CN(CCNC(=O)C1=CC(C[NH+](C)C)=CN1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787762	0	49	0.0	-79.34	415.19	1.15	-78.19
C=CCC(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024787792	0	48	0.0	-67.47	392.49	1.35	-66.12
CN(CCNC(=O)C1CC(C)(C)C[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787809	0	51	0.0	-68.74	414.82	2.00	-66.74
CN(CCNC(=O)C1CC(C)(C)C[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787809	1	51	0.0	-68.74	414.82	2.00	-66.74
CN(CCNC(=O)CCCCC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787813	0	53	0.0	-75.96	435.68	2.80	-73.16
CC1C[N@@H+]2CCN1C(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024787857	0	51	0.0	-82.02	401.80	-1.07	-83.09
CC1C[N@H+]2CCN1C(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024787857	1	51	0.0	-82.02	401.80	-1.07	-83.09
CCCC(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024787858	0	50	0.0	-68.88	400.72	1.65	-67.23
CN(CCNC(=O)C(C)(C)[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787863	0	47	0.0	-76.56	376.28	1.03	-75.53
CN(CCNC(=O)C1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787908	0	48	0.0	-70.73	381.46	1.29	-69.44
CN(CCNC(=O)CC1=CC[N@H+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787955	0	49	0.0	-70.50	407.68	2.19	-68.31
CN(CCNC(=O)CC1=CC[N@@H+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787955	1	49	0.0	-70.50	407.68	2.19	-68.31
CN(CCNC(=O)CC1([NH+]2CCCC2)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787964	0	52	0.0	-70.79	412.53	2.52	-68.27
CN(CCNC(=O)C(C)(C)C1CCC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788016	0	57	0.0	-75.58	438.54	2.99	-72.59
CN(CCNC(=O)C(C)(C)C1CCC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788016	1	57	0.0	-75.53	438.81	3.00	-72.53
CN(CCNC(=O)C1=CC=C(C[NH+](C)C)O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788021	1	48	0.0	-82.15	413.13	1.67	-80.48
CN(CCNC(=O)C1=CC=C(C[NH+](C)C)N=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788026	0	50	0.0	-80.06	422.50	1.49	-78.57
CN(CCNC(=O)C=CC[NH+]1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788040	0	49	0.0	-76.23	409.10	2.13	-74.10
CN(CCNC(=O)C1CC[NH+](C2CC2)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788065	0	52	0.0	-74.53	417.99	2.73	-71.80
CN(CCNC(=O)C1([NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788086	0	45	0.0	-78.02	370.98	1.56	-76.46
CN(CCNC(=O)CC[NH+]1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788088	0	48	0.0	-74.02	396.87	1.59	-72.43
CN(CCNC(=O)C1C[NH+]2CCN1CC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788130	0	48	0.0	-82.12	384.82	-1.68	-83.80
CN(CCNC(=O)C12CC(C1)C[N@H+]2C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788140	1	46	0.0	-76.26	380.86	1.07	-75.19
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1	REAL300024793371	0	52	0.0	-74.42	423.95	1.61	-72.81
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1C=CSC1=[NH2+]	REAL300024793398	0	41	0.0	-68.59	375.62	-0.03	-68.62
C[C@@H](OCC[NH+](C)C)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793486	0	51	0.0	-72.65	421.61	1.41	-71.24
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[NH+]1CCCCCC1	REAL300024793550	0	54	0.0	-75.13	422.57	2.46	-72.67
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@H+](C)C1	REAL300024793556	0	48	0.0	-66.56	382.29	1.35	-65.21
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@@H+](C)C1	REAL300024793556	1	48	0.0	-66.56	382.29	1.35	-65.21
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CCCCCC1	REAL300024793563	0	51	0.0	-71.48	399.62	1.83	-69.65
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N+]1=CN(C)C=C1	REAL300024793570	0	43	0.0	-69.87	380.05	3.31	-66.56
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)(C)C1CCC[N@H+](C)C1	REAL300024793587	0	57	0.0	-74.98	429.75	2.44	-72.54
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)(C)C1CCC[N@@H+](C)C1	REAL300024793587	1	57	0.0	-74.98	429.75	2.44	-72.54
CN(C)CC1=CC=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024793592	0	48	0.0	-81.73	409.56	1.62	-80.11
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(C[NH+](C)C)O1	REAL300024793592	1	48	0.0	-81.73	409.56	1.62	-80.11
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1CCC(O)CC1	REAL300024793616	0	49	0.0	-76.33	401.63	-1.68	-78.01
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CCC(O)CC1	REAL300024793616	1	49	0.0	-76.33	401.63	-1.68	-78.01
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)C1CC1	REAL300024793622	0	45	0.0	-68.76	378.08	1.22	-67.54
CC(C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)N1CCN(C)CC1	REAL300024793624	0	53	0.0	-75.15	423.09	-0.36	-75.51
CC(C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)N1CC[NH+](C)CC1	REAL300024793624	1	53	0.0	-75.15	423.09	-0.36	-75.51
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[N@@H+]1CCC(F)C1	REAL300024793628	0	48	0.0	-78.85	403.01	1.65	-77.20
COC1C[N@H+](C)C(C)(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024793643	0	52	0.0	-76.15	406.70	-0.28	-76.43
CC(CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024793665	0	50	0.0	-76.62	405.95	1.84	-74.78
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[N@@H+]2CCOCC12	REAL300024793687	0	50	0.0	-70.35	398.80	-0.02	-70.37
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[N@H+]2CCOCC12	REAL300024793687	1	50	0.0	-70.35	398.80	-0.02	-70.37
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1COCCN1C	REAL300024793713	0	49	0.0	-66.51	391.67	-0.51	-67.02
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1COCC[N@@H+]1C	REAL300024793713	1	49	0.0	-66.56	391.95	-0.49	-67.05
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1COCC[N@H+]1C	REAL300024793713	1	49	0.0	-66.56	391.95	-0.49	-67.05
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+]1CCC(C)(O)C1	REAL300024793847	0	49	0.0	-71.68	405.22	-1.81	-73.49
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=NN1CC[NH+](C)C	REAL300024793855	0	51	0.0	-68.25	422.96	0.96	-67.29
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1C[NH+](C)C1	REAL300024793888	0	45	0.0	-73.91	380.26	0.66	-73.25
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[N@@H+]1C1CCCC1	REAL300024793894	0	52	0.0	-70.27	413.89	2.18	-68.09
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[N@H+]1C1CCCC1	REAL300024793894	1	52	0.0	-70.27	413.89	2.18	-68.09
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[N@H+](C)CCO	REAL300024793939	0	48	0.0	-72.96	399.22	-2.16	-75.12
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[N@@H+](C)CCO	REAL300024793939	1	48	0.0	-72.96	399.22	-2.16	-75.12
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CCCC[N@@H+]1C	REAL300024793964	0	51	0.0	-63.70	400.57	1.91	-61.79
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CCCC[N@H+]1C	REAL300024793964	1	51	0.0	-63.70	400.57	1.91	-61.79
CC1=C2C=C(C(=O)N(C)CCNC(=O)CSC3=NNC(=O)[N-]3)C=CN2C=N1	REAL300024793992	0	46	0.0	-75.27	405.66	3.76	-71.51
CC1=C2C=C(C(=O)N(C)CCNC(=O)CSC3=NNC(=O)[N-]3)C=CN2C=[NH+]1	REAL300024793992	1	46	0.0	-75.27	405.66	3.76	-71.51
CC1CC[N@@H+]1CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793998	0	45	0.0	-69.64	374.60	0.60	-69.04
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=CC[NH+](C)C	REAL300024794015	0	45	0.0	-76.78	384.95	1.06	-75.72
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1CC(C)(C)C1	REAL300024794029	0	48	0.0	-72.00	399.23	1.37	-70.63
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CC(C)(C)C1	REAL300024794029	1	48	0.0	-72.00	399.23	1.37	-70.63
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCCC[NH+]1CCCCC1	REAL300024794043	0	57	0.0	-74.36	455.36	3.83	-70.53
CC1=C(C)NC(CCC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024794056	0	49	0.0	-68.09	418.78	1.11	-66.98
CC1=C(C)[NH+]=C(CCC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024794056	1	49	0.0	-68.09	418.78	1.11	-66.98
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(C2CC[NH+](C)CC2)CC1	REAL300024794065	0	55	0.0	-71.10	433.37	2.98	-68.12
CC1=C2C=C(C(=O)N(C)CCNC(=O)CSC3=NNC(=O)[N-]3)C=CN2C=N1	REAL300024794073	0	46	0.0	-75.27	405.66	3.76	-71.51
CC1=C2C=C(C(=O)N(C)CCNC(=O)CSC3=NNC(=O)[N-]3)C=CN2C=[NH+]1	REAL300024794073	1	46	0.0	-75.27	405.66	3.76	-71.51
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CSCC[NH+](C)C	REAL300024794084	0	48	0.0	-78.90	415.71	1.79	-77.11
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+]1CCCC1CO	REAL300024794112	0	49	0.0	-70.65	403.66	-1.64	-72.29
CC[NH+](CC)CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024794116	0	47	0.0	-69.95	380.13	0.86	-69.09
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)C1CCSC1	REAL300024794127	0	49	0.0	-76.02	408.30	2.03	-73.99
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1CCC1	REAL300024794129	0	42	0.0	-72.25	358.64	0.20	-72.05
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CCC1	REAL300024794129	1	42	0.0	-72.25	358.64	0.20	-72.05
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1	REAL300024823907	0	52	0.0	-74.42	423.95	1.61	-72.81
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CC(C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)[N@@H+]1CCCC(O)C1	REAL300024823964	0	52	0.0	-67.81	418.04	-1.31	-69.12
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1(O)CCC[N@H+](C)C1	REAL300024823986	0	52	0.0	-66.61	409.16	-0.02	-66.63
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1(O)CCC[N@@H+](C)C1	REAL300024823986	1	52	0.0	-66.61	409.16	-0.02	-66.63
CC1CN(CC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024823989	0	45	0.0	-71.91	379.81	0.87	-71.04
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CN(CCO)CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024824017	0	45	0.0	-72.04	376.63	-2.78	-74.82
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)CCO	REAL300024824017	1	45	0.0	-71.96	376.40	-2.80	-74.76
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)CCO	REAL300024824017	1	45	0.0	-71.96	376.40	-2.80	-74.76
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1CC2CCC(C1)[NH+]2C	REAL300024824038	0	53	0.0	-71.61	420.71	2.74	-68.87
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[N@@H+]2CCN1CCC2	REAL300024824043	0	51	0.0	-76.32	394.11	-1.01	-77.33
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[N@H+]2CCN1CCC2	REAL300024824043	1	51	0.0	-76.32	394.11	-1.01	-77.33
CC[N@@H+]1CCCC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024824050	0	51	0.0	-71.25	406.10	1.82	-69.43
CC[N@H+]1CCCC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024824050	1	51	0.0	-71.25	406.10	1.82	-69.43
CC(CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024824052	0	50	0.0	-76.62	405.95	1.84	-74.78
CC[N@H+](C)CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024824067	0	44	0.0	-71.27	366.55	0.47	-70.80
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CCC[N@@H+]1CCCC2	REAL300024824095	0	52	0.0	-65.89	396.27	1.56	-64.33
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CCC[N@H+]1CCCC2	REAL300024824095	1	52	0.0	-65.89	396.27	1.56	-64.33
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CCC[N@@H+]1CC=CC2	REAL300024824104	0	50	0.0	-66.38	390.37	1.53	-64.85
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CCC[N@H+]1CC=CC2	REAL300024824104	1	50	0.0	-66.38	390.37	1.53	-64.85
CC[N@H+](CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024824128	0	48	0.0	-70.00	390.21	1.71	-68.29
CN(CCNC(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829996	0	52	0.0	-73.89	427.51	1.90	-71.99
CN(CCNC(=O)CN1C=CSC1=[NH2+])C(=O)CSC1=NNC(=O)[N-]1	REAL300024830023	0	41	0.0	-69.29	375.89	0.05	-69.24
C[C@@H](OCC[NH+](C)C)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830111	0	51	0.0	-72.92	424.21	1.60	-71.32
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024859941	0	50	0.0	-69.43	416.92	1.25	-68.18
C=CCC(C)(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024859950	0	49	0.0	-68.45	393.43	1.42	-67.03
C[S+](C)CCC(O)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859955	0	45	0.0	-79.98	402.88	-0.95	-80.93
C[N@@H+]1CC(O)CC1(C)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859985	0	47	0.0	-79.16	383.81	-2.03	-81.19
CN1CC[N@H+](C)CC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024859999	0	51	0.0	-67.90	408.20	-0.51	-68.41
CN1CC[N@@H+](C)CC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024859999	1	51	0.0	-67.90	408.20	-0.51	-68.41
CC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[N@@H+]1CCCC(O)C1	REAL300024860000	0	50	0.0	-73.01	406.96	-1.48	-74.49
C[N@@H+]1CCCC(O)(CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024860024	0	50	0.0	-69.71	408.30	-0.26	-69.97
C[N@H+]1CCCC(O)(CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024860024	1	50	0.0	-69.71	408.30	-0.26	-69.97
CC1CN(CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024860028	0	43	0.0	-75.49	369.27	0.50	-74.99
CC1C[NH+](CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024860028	1	43	0.0	-75.49	369.27	0.50	-74.99
CN(CCO)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860057	0	43	0.0	-76.16	366.09	-3.16	-79.32
C[N@H+](CCO)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860057	1	43	0.0	-75.73	365.87	-3.17	-78.90
C[N@@H+](CCO)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860057	1	43	0.0	-75.73	365.87	-3.17	-78.90
C[NH+]1C2CCC1CC(=CC(=O)NC1CN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024860079	0	51	0.0	-72.86	411.09	2.26	-70.60
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2C[N@@H+]3CCN2CCC3)C1	REAL300024860084	0	49	0.0	-80.89	382.73	-1.51	-82.40
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2C[N@H+]3CCN2CCC3)C1	REAL300024860084	1	49	0.0	-80.89	382.73	-1.51	-82.40
CC[N@@H+]1CCCC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024860091	0	49	0.0	-67.37	400.32	1.60	-65.77
CC[N@H+]1CCCC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024860091	1	49	0.0	-67.37	400.32	1.60	-65.77
CC(CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024860093	0	48	0.0	-76.06	395.19	1.40	-74.66
CC[N@H+](C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860109	0	42	0.0	-75.18	355.74	0.07	-75.11
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C23CCC[N@@H+]2CCCC3)C1	REAL300024860137	0	50	0.0	-69.53	393.48	1.93	-67.60
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C23CCC[N@H+]2CCCC3)C1	REAL300024860137	1	50	0.0	-69.53	393.48	1.93	-67.60
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C23CCC[N@@H+]2CC=CC3)C1	REAL300024860146	0	48	0.0	-76.31	384.19	2.41	-73.90
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C23CCC[N@H+]2CC=CC3)C1	REAL300024860146	1	48	0.0	-76.31	384.19	2.41	-73.90
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1	REAL300024999160	0	52	0.0	-68.74	429.24	0.78	-67.96
C=CCC(C)(C(=O)N[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024999167	0	51	0.0	-62.44	405.92	0.84	-61.60
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(O)CC[S+](C)C	REAL300024999172	0	47	0.0	-68.60	415.38	-1.53	-70.13
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(C)CC(O)C[N@@H+]1C	REAL300024999202	0	49	0.0	-72.44	398.07	-2.83	-75.27
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CN(C)CC[N@H+](C)C1	REAL300024999216	0	53	0.0	-67.19	420.57	-1.03	-68.22
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CN(C)CC[N@@H+](C)C1	REAL300024999216	1	53	0.0	-67.19	420.57	-1.03	-68.22
CC(C(=O)N[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1)[N@@H+]1CCCC(O)C1	REAL300024999217	0	52	0.0	-66.01	419.51	-2.08	-68.09
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1(O)CCC[N@H+](C)C1	REAL300024999239	0	52	0.0	-67.42	417.98	-0.75	-68.17
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1(O)CCC[N@@H+](C)C1	REAL300024999239	1	52	0.0	-67.42	417.98	-0.75	-68.17
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1CC(C)C1	REAL300024999242	0	45	0.0	-68.86	380.61	-0.03	-68.89
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CC(C)C1	REAL300024999242	1	45	0.0	-68.86	380.61	-0.03	-68.89
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN(C)CCO	REAL300024999270	0	45	0.0	-68.89	378.62	-3.75	-72.64
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+](C)CCO	REAL300024999270	1	45	0.0	-68.79	378.39	-3.77	-72.56
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+](C)CCO	REAL300024999270	1	45	0.0	-68.79	378.39	-3.77	-72.56
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=C1CC2CCC(C1)[NH+]2C	REAL300024999291	0	53	0.0	-67.46	423.57	1.75	-65.71
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@@H+]2CCN1CCC2	REAL300024999296	0	51	0.0	-70.95	398.64	-1.87	-72.82
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@H+]2CCN1CCC2	REAL300024999296	1	51	0.0	-70.95	398.64	-1.87	-72.82
CC[N@@H+]1CCCC(C(=O)N[C@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024999303	0	51	0.0	-62.44	406.51	1.30	-61.14
CC[N@H+]1CCCC(C(=O)N[C@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024999303	1	51	0.0	-62.44	406.51	1.30	-61.14
CC(CC(=O)N[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024999305	0	50	0.0	-69.68	407.72	0.81	-68.87
CC[N@H+](C)CC(=O)N[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024999320	0	44	0.0	-68.32	368.26	-0.53	-68.85
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CCC[N@@H+]1CCCC2	REAL300024999348	0	52	0.0	-62.64	404.27	1.44	-61.20
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CCC[N@H+]1CCCC2	REAL300024999348	1	52	0.0	-62.64	404.27	1.44	-61.20
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CCC[N@@H+]1CC=CC2	REAL300024999357	0	50	0.0	-62.76	398.32	1.15	-61.61
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CCC[N@H+]1CC=CC2	REAL300024999357	1	50	0.0	-62.76	398.32	1.15	-61.61
CC[N@H+](CC(=O)N[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024999381	0	48	0.0	-65.93	396.58	0.83	-65.10
CC[NH+](CC)CCC(=O)N[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024999404	0	50	0.0	-69.03	404.13	0.44	-68.59
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1CC(C)(C)C1	REAL300024999433	0	48	0.0	-68.68	401.14	0.43	-68.25
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CC(C)(C)C1	REAL300024999433	1	48	0.0	-68.68	401.14	0.43	-68.25
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCCC[NH+]1CCCCC1	REAL300024999439	0	57	0.0	-69.11	457.53	2.81	-66.30
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CCC(C)(O)C1	REAL300024999470	0	49	0.0	-67.92	406.54	-2.77	-70.69
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=CC[NH+](C)C	REAL300024999479	0	45	0.0	-71.33	386.49	0.03	-71.30
CC(OCC[NH+](C)C)C(=O)N[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024999503	0	51	0.0	-67.88	426.18	0.57	-67.31
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCOCC[NH+](C)C	REAL300024999514	0	51	0.0	-67.72	427.35	-0.39	-68.11
COCCN(C)CC(=O)N[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024999515	0	48	0.0	-68.76	400.64	-1.36	-70.12
COCC[N@H+](C)CC(=O)N[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024999515	1	48	0.0	-68.98	400.87	-1.35	-70.33
COCC[N@@H+](C)CC(=O)N[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024999515	1	48	0.0	-68.98	400.87	-1.35	-70.33
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1([NH+](C)C)CCCC1	REAL300024999563	0	51	0.0	-70.97	400.29	0.98	-69.99
CC(CCC(=O)N[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024999566	0	50	0.0	-71.39	403.88	0.54	-70.85
CCN1CCC1C(=O)N[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024999576	0	45	0.0	-67.42	382.17	-0.22	-67.64
CC[N@@H+]1CCC1C(=O)N[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024999576	1	45	0.0	-66.16	375.10	-0.55	-66.71
CC[N@H+]1CCC1C(=O)N[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024999576	1	45	0.0	-66.16	375.10	-0.55	-66.71
CC(C)[N@@H+]1CCCC(C(=O)N[C@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024999587	0	54	0.0	-61.52	423.17	1.82	-59.70
CC(C)[N@H+]1CCCC(C(=O)N[C@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024999587	1	54	0.0	-61.52	423.17	1.82	-59.70
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CCCC1CO	REAL300024999601	0	49	0.0	-67.09	405.32	-2.64	-69.73
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CC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300025005871	1	48	0.0	-64.52	398.16	0.53	-63.99
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C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN(C)CCO	REAL300025010051	0	45	0.0	-69.47	378.62	-3.76	-73.23
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+](C)CCO	REAL300025010051	1	45	0.0	-68.66	378.39	-3.77	-72.43
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+](C)CCO	REAL300025010051	1	45	0.0	-68.66	378.39	-3.77	-72.43
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=C1CC2CCC(C1)[NH+]2C	REAL300025010072	0	53	0.0	-67.98	423.57	1.75	-66.23
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@@H+]2CCN1CCC2	REAL300025010077	0	51	0.0	-73.89	398.64	-1.88	-75.77
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@H+]2CCN1CCC2	REAL300025010077	1	51	0.0	-73.89	398.64	-1.88	-75.77
CC[N@@H+]1CCCC(C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025010084	0	51	0.0	-63.20	406.51	1.30	-61.90
CC[N@H+]1CCCC(C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025010084	1	51	0.0	-63.20	406.51	1.30	-61.90
CC(CC(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025010086	0	50	0.0	-72.49	407.65	0.79	-71.70
CC[N@H+](C)CC(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025010101	0	44	0.0	-68.35	368.26	-0.53	-68.88
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CCC[N@@H+]1CCCC2	REAL300025010129	0	52	0.0	-62.93	404.23	1.36	-61.57
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CCC[N@H+]1CCCC2	REAL300025010129	1	52	0.0	-62.93	404.23	1.36	-61.57
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CCC[N@@H+]1CC=CC2	REAL300025010138	0	50	0.0	-66.70	397.17	1.32	-65.38
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CCC[N@H+]1CC=CC2	REAL300025010138	1	50	0.0	-66.70	397.17	1.32	-65.38
C[C@@H](CNC(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016030	0	52	0.0	-69.30	427.73	1.03	-68.27
C[C@@H](CNC(=O)CN1C=CSC1=[NH2+])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016057	0	41	0.0	-63.83	377.61	-1.02	-64.85
C[C@@H](OCC[NH+](C)C)C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016145	0	51	0.0	-66.59	426.18	0.55	-66.04
CC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025198719	1	45	0.0	-64.77	378.68	-0.14	-64.91
CCC(CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025198727	0	53	0.0	-69.36	421.56	1.29	-68.07
C[C@H](CNC(=O)C(C)(C)C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198735	0	50	0.0	-67.01	400.37	0.54	-66.47
C[C@H](CNC(=O)C12CC(C1)C[N@@H+]2C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198755	0	50	0.0	-62.59	407.51	1.43	-61.16
C[C@H](CNC(=O)C12CC(C1)C[N@H+]2C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198755	1	50	0.0	-63.06	407.66	2.09	-60.97
C[C@H](CNC(=O)C[NH+]1CCC(O)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198770	1	49	0.0	-70.85	403.73	-2.66	-73.51
C[C@H](CNC(=O)C[N@H+](C)C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198771	0	45	0.0	-64.67	379.81	0.20	-64.47
C[C@H](CNC(=O)C[N@@H+](C)C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198771	1	45	0.0	-65.04	379.94	0.21	-64.83
CC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)N1CC[NH+](C)CC1	REAL300025198772	1	53	0.0	-68.30	423.79	-1.36	-69.66
C[C@H](CNC(=O)CC1C[NH+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198795	0	45	0.0	-68.39	381.97	-0.37	-68.76
C[C@H](CNC(=O)C1CC[N@@H+]1C1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198799	0	52	0.0	-66.01	422.62	1.74	-64.27
C[C@H](CNC(=O)C1CC[N@H+]1C1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198799	1	52	0.0	-66.09	421.21	1.60	-64.49
C[C@H](CNC(=O)C1CC[N@@H+]1C(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198807	0	51	0.0	-63.34	396.05	0.01	-63.33
C[C@H](CNC(=O)C1CC[N@H+]1C(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198807	1	51	0.0	-64.13	394.50	0.34	-63.79
C[C@H](CNC(=O)[C@H](C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198819	0	44	0.0	-65.62	368.70	-0.79	-66.41
C[C@H](CNC(=O)CN=[N+]=[N-])NC(=O)CSC1=NC(=O)NN1	REAL300025198834	0	35	0.0	-23.18	327.50	-5.60	-28.78
CCC1CCC[N@H+](CC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025198866	0	54	0.0	-66.86	431.52	1.92	-64.94
CCC1CCC[N@@H+](CC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025198866	1	54	0.0	-66.89	431.50	1.92	-64.97
C[C@H](CNC(=O)C1=CC=C(C[NH+](C)C)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198874	0	49	0.0	-70.47	417.12	0.23	-70.24
C[C@H](CNC(=O)CC1CC2CCC(C1)[NH+]2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198886	0	55	0.0	-67.71	416.21	1.25	-66.46
C[C@H](CNC(=O)CN1C=CSC1=[NH2+])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198928	0	41	0.0	-63.83	377.61	-1.02	-64.85
C[C@H](CNC(=O)CC[N@H+](C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198940	0	48	0.0	-68.34	400.98	-3.19	-71.53
C[C@H](CNC(=O)CC[N@@H+](C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198940	1	48	0.0	-67.98	400.97	-3.22	-71.20
C[C@H](CNC(=O)[C@H](C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198941	0	44	0.0	-65.62	368.70	-0.79	-66.41
C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198945	0	48	0.0	-64.18	392.48	0.40	-63.78
C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198945	1	48	0.0	-64.89	383.19	0.22	-64.67
C[C@H](CNC(=O)C1C[N@@H+]2CCN1CC2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198955	0	51	0.0	-69.11	401.91	-2.33	-71.44
C[C@H](CNC(=O)C1C[N@H+]2CCN1CC2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198955	1	51	0.0	-69.55	401.88	-2.31	-71.86
COC1C[N@@H+]2CCCC2(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025198996	0	53	0.0	-64.13	426.35	-0.42	-64.55
COC1C[N@H+]2CCCC2(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025198996	1	53	0.0	-63.90	428.56	-0.23	-64.13
C[C@H](CNC(=O)CC1=CC2=C[NH+]=CN2C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199008	0	46	0.0	-68.46	404.94	2.99	-65.47
C[C@H](CNC(=O)C[N@H+](C)C1CCSC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199035	0	49	0.0	-72.35	409.87	1.03	-71.32
C[C@H](CNC(=O)C[N@@H+](C)C1CCSC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199035	1	49	0.0	-72.74	409.74	1.05	-71.69
C[C@H](CNC(=O)C[NH+]1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199036	1	42	0.0	-67.20	360.63	-0.77	-67.97
C[C@H](CNC(=O)C1=CC=NC(C[NH+](C)C)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199071	1	50	0.0	-68.90	424.68	0.83	-68.07
C[C@H](CNC(=O)C=C1CC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199073	0	46	0.0	-70.86	389.39	0.34	-70.52
C[C@H](CNC(=O)C=C1CC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199073	1	46	0.0	-71.16	388.42	0.36	-70.80
C[C@H](CNC(=O)C1C[NH+](C2CCCCC2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199099	0	55	0.0	-68.73	442.80	2.11	-66.62
C[C@H](CNC(=O)COCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199114	0	48	0.0	-68.15	406.40	-0.13	-68.28
CCCCC[N@H+](C)CCC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199120	0	56	0.0	-69.75	455.12	2.32	-67.43
CCCCC[N@@H+](C)CCC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199120	1	56	0.0	-69.78	455.12	2.31	-67.47
C[C@H](CNC(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199130	0	52	0.0	-69.08	427.73	1.03	-68.05
C=CCC(C)(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025199137	0	51	0.0	-61.42	406.00	0.83	-60.59
C[C@H](CNC(=O)C(O)CC[S+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199142	0	47	0.0	-68.72	415.38	-1.54	-70.26
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1	REAL300025205219	0	52	0.0	-68.74	429.24	0.78	-67.96
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1C=CSC1=[NH2+]	REAL300025205246	0	41	0.0	-65.36	377.60	-1.00	-66.36
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H](C)OCC[NH+](C)C	REAL300025205334	0	51	0.0	-67.88	426.18	0.57	-67.31
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[NH+]1CCCCCC1	REAL300025205398	0	54	0.0	-70.51	424.56	1.43	-69.08
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@H+](C)C1	REAL300025205404	0	48	0.0	-68.80	395.09	0.43	-68.37
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@@H+](C)C1	REAL300025205404	1	48	0.0	-68.80	395.09	0.43	-68.37
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CCCCCC1	REAL300025205411	0	51	0.0	-68.54	401.61	0.86	-67.68
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N+]1=CN(C)C=C1	REAL300025205418	0	43	0.0	-66.83	381.76	2.32	-64.51
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)(C)C1CCC[N@H+](C)C1	REAL300025205435	0	57	0.0	-70.35	432.89	1.49	-68.86
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)(C)C1CCC[N@@H+](C)C1	REAL300025205435	1	57	0.0	-70.35	432.89	1.49	-68.86
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C(CN(C)C)O1	REAL300025205440	0	48	0.0	-72.79	414.02	0.53	-72.26
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C(C[NH+](C)C)O1	REAL300025205440	1	48	0.0	-72.79	414.02	0.53	-72.26
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1CCC(O)CC1	REAL300025205464	0	49	0.0	-72.85	403.73	-2.65	-75.50
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CCC(O)CC1	REAL300025205464	1	49	0.0	-72.85	403.73	-2.65	-75.50
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+](C)C1CC1	REAL300025205470	0	45	0.0	-66.11	379.79	0.21	-65.90
CC(C(=O)N[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1)N1CCN(C)CC1	REAL300025205472	0	53	0.0	-68.47	423.79	-1.35	-69.82
CC(C(=O)N[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1)N1CC[NH+](C)CC1	REAL300025205472	1	53	0.0	-68.47	423.79	-1.35	-69.82
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[N@@H+]1CCC(F)C1	REAL300025205476	0	48	0.0	-74.97	403.85	0.57	-74.40
COC1C[N@H+](C)C(C)(C(=O)N[C@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025205491	0	52	0.0	-70.36	416.99	-0.83	-71.19
CC(CC(=O)N[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025205513	0	50	0.0	-69.68	407.72	0.81	-68.87
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@@H+]2CCOCC12	REAL300025205535	0	50	0.0	-70.40	409.47	-0.92	-71.32
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@H+]2CCOCC12	REAL300025205535	1	50	0.0	-70.40	409.47	-0.92	-71.32
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1COCCN1C	REAL300025205561	0	49	0.0	-66.90	393.65	-1.52	-68.42
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1COCC[N@@H+]1C	REAL300025205561	1	49	0.0	-73.81	401.16	-1.37	-75.18
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1COCC[N@H+]1C	REAL300025205561	1	49	0.0	-73.81	401.16	-1.37	-75.18
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CCC(C)(O)C1	REAL300025205695	0	49	0.0	-67.92	406.54	-2.77	-70.69
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=NN1CC[NH+](C)C	REAL300025205703	0	51	0.0	-68.21	430.55	0.23	-67.98
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1C[NH+](C)C1	REAL300025205736	0	45	0.0	-68.80	381.98	-0.37	-69.17
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@@H+]1C1CCCC1	REAL300025205742	0	52	0.0	-66.54	415.34	1.24	-65.30
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[N@H+](C)CCO	REAL300025205787	0	48	0.0	-68.97	400.93	-3.20	-72.17
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[N@@H+](C)CCO	REAL300025205787	1	48	0.0	-68.97	400.93	-3.20	-72.17
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CCCC[N@@H+]1C	REAL300025205812	0	51	0.0	-70.26	409.78	1.00	-69.26
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CCCC[N@H+]1C	REAL300025205812	1	51	0.0	-70.26	409.78	1.00	-69.26
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